Alternatived Products of [ 170642-27-0 ]
Product Details of [ 170642-27-0 ]
CAS No. : 170642-27-0
MDL No. : MFCD00270336
Formula :
C19 H19 NO4
Boiling Point :
-
Linear Structure Formula : -
InChI Key : XQIRYUNKLVPVRR-QGZVFWFLSA-N
M.W :
325.36
Pubchem ID : 853017
Synonyms :
Calculated chemistry of [ 170642-27-0 ]
Physicochemical Properties
Num. heavy atoms :
24
Num. arom. heavy atoms :
12
Fraction Csp3 :
0.26
Num. rotatable bonds :
7
Num. H-bond acceptors :
4.0
Num. H-bond donors :
2.0
Molar Refractivity :
89.98
TPSA :
75.63 Ų
Pharmacokinetics
GI absorption :
High
BBB permeant :
Yes
P-gp substrate :
No
CYP1A2 inhibitor :
No
CYP2C19 inhibitor :
No
CYP2C9 inhibitor :
Yes
CYP2D6 inhibitor :
No
CYP3A4 inhibitor :
No
Log Kp (skin permeation) :
-5.74 cm/s
Lipophilicity
Log Po/w (iLOGP) :
2.46
Log Po/w (XLOGP3) :
3.58
Log Po/w (WLOGP) :
3.39
Log Po/w (MLOGP) :
2.55
Log Po/w (SILICOS-IT) :
2.92
Consensus Log Po/w :
2.98
Druglikeness
Lipinski :
0.0
Ghose :
None
Veber :
0.0
Egan :
0.0
Muegge :
0.0
Bioavailability Score :
0.56
Water Solubility
Log S (ESOL) :
-4.02
Solubility :
0.031 mg/ml ; 0.0000954 mol/l
Class :
Moderately soluble
Log S (Ali) :
-4.85
Solubility :
0.00455 mg/ml ; 0.000014 mol/l
Class :
Moderately soluble
Log S (SILICOS-IT) :
-5.29
Solubility :
0.00166 mg/ml ; 0.00000511 mol/l
Class :
Moderately soluble
Medicinal Chemistry
PAINS :
0.0 alert
Brenk :
0.0 alert
Leadlikeness :
1.0
Synthetic accessibility :
3.41
Safety of [ 170642-27-0 ]
Application In Synthesis of [ 170642-27-0 ]
* All experimental methods are cited from the reference, please refer to the original source for details. We do not guarantee the accuracy of the content in the reference.
Upstream synthesis route of [ 170642-27-0 ]
Downstream synthetic route of [ 170642-27-0 ]
1
[ 82911-69-1 ]
[ 170642-21-4 ]
[ 90-82-4 ]
[ 170642-27-0 ]
2
[ 82911-69-1 ]
[ 170642-21-4 ]
[ 170642-27-0 ]
3
{(R)-1-[((1S,2S)-2-Hydroxy-1-methyl-2-phenyl-ethyl)-methyl-carbamoyl]-propyl}-carbamic acid 9H-fluoren-9-ylmethyl ester
[ No CAS ]
[ 170642-27-0 ]
4
[ 629672-19-1 ]
[ 170642-27-0 ]
2-(4-fluoro-3-methyl-benzenesulfonylamino)-<i>N</i>-hydroxy-butyramide
[ No CAS ]
5
[ 5680-79-5 ]
[ 170642-27-0 ]
[ 900183-91-7 ]
7
[ 35661-39-3 ]
[ 35661-38-2 ]
[ 144120-54-7 ]
[ 170642-27-0 ]
C34 H53 N9 O12
[ No CAS ]
8
[ 35661-60-0 ]
[ 35661-39-3 ]
[ 71989-23-6 ]
[ 71989-26-9 ]
[ 71989-35-0 ]
[ 71989-28-1 ]
[ 132388-59-1 ]
[ 132327-80-1 ]
[ 170642-27-0 ]
[ 143824-78-6 ]
Nα-(9-fluorenylmethyloxycarbonyl)-Nγ-2,2,4,6,7-pentamethyldihydrobenzofuran-5-sulfonyl-L-arginine
[ No CAS ]
H-(D-2-aminobutyryl)-QGTFTSDYSKYLDSRRAQDFVQWLMNTKRNRNNIA-NH2
[ No CAS ]
9
[ 1610522-97-8 ]
[ 170642-27-0 ]
C32 H32 N2 O9
[ No CAS ]
10
[ 35661-60-0 ]
[ 86123-10-6 ]
[ 115186-31-7 ]
[ 84624-17-9 ]
[ 170642-27-0 ]
C44 H58 N6 O8
[ No CAS ]
11
[ 35661-60-0 ]
[ 86123-10-6 ]
[ 115186-31-7 ]
[ 84624-17-9 ]
[ 170642-27-0 ]
C44 H58 N6 O8
[ No CAS ]
12
[ 86123-10-6 ]
[ 115186-31-7 ]
[ 84624-17-9 ]
[ 170642-27-0 ]
C47 H56 N6 O8
[ No CAS ]
13
[ 35661-60-0 ]
[ 86123-10-6 ]
[ 115186-31-7 ]
[ 170642-27-0 ]
C48 H58 N6 O8
[ No CAS ]
14
[ 35661-60-0 ]
[ 118904-37-3 ]
[ 103478-62-2 ]
[ 101555-63-9 ]
[ 170642-27-0 ]
[ 150256-42-1 ]
H2 N-L-Leu-D-allo-Ile-Ant-L-Pip-L-MeLeu-D-Aba-OH
[ No CAS ]
15
(S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetic acid
[ No CAS ]
[ 101555-63-9 ]
[ 170642-27-0 ]
(S)-N-((R)-1-amino-1-oxobutan-2-yl)-1-((S)-2-cyclohexyl-2-(3,4,5-trimethoxyphenyl)acetyl)piperidine-2-carboxamide
[ No CAS ]
16
[ 35661-39-3 ]
[ 35661-38-2 ]
[ 77284-32-3 ]
[ 71989-31-6 ]
[ 135112-28-6 ]
[ 143674-78-6 ]
[ 170642-27-0 ]
[ 112883-41-7 ]
C62 H84 N9 O13 Pol
[ No CAS ]
17
[ 35661-39-3 ]
[ 35661-38-2 ]
[ 71989-31-6 ]
[ 143674-78-6 ]
[ 170642-27-0 ]
[ 112883-41-7 ]
C54 H69 N8 O12 Pol
[ No CAS ]
18
[ 35661-38-2 ]
[ 77284-32-3 ]
[ 71989-31-6 ]
[ 135112-28-6 ]
[ 143674-78-6 ]
[ 170642-27-0 ]
[ 112883-41-7 ]
C70 H99 N10 O14 Pol
[ No CAS ]
19
[ 77284-32-3 ]
[ 71989-31-6 ]
[ 135112-28-6 ]
[ 143674-78-6 ]
[ 170642-27-0 ]
[ 112883-41-7 ]
C71 H102 N9 O13 Pol
[ No CAS ]
20
[ 77284-32-3 ]
[ 71989-31-6 ]
[ 143674-78-6 ]
[ 170642-27-0 ]
[ 112883-41-7 ]
C66 H93 N8 O12 Pol
[ No CAS ]
21
[ 35661-39-3 ]
[ 35661-38-2 ]
[ 71989-31-6 ]
[ 135112-28-6 ]
[ 143674-78-6 ]
[ 170642-27-0 ]
C58 H76 N9 O13 Pol
[ No CAS ]
22
[ 35661-39-3 ]
[ 35661-38-2 ]
[ 71989-31-6 ]
[ 135112-28-6 ]
[ 143674-78-6 ]
[ 170642-27-0 ]
C62 H83 N10 O14 Pol
[ No CAS ]
23
[ 35661-38-2 ]
[ 77284-32-3 ]
[ 71989-31-6 ]
[ 143674-78-6 ]
[ 170642-27-0 ]
[ 144701-24-6 ]
C59 H79 N8 O12 Pol
[ No CAS ]
24
[ 35661-38-2 ]
[ 77284-32-3 ]
[ 71989-31-6 ]
[ 135112-28-6 ]
[ 143674-78-6 ]
[ 170642-27-0 ]
C66 H91 N10 O14 Pol
[ No CAS ]
25
[ 71989-31-6 ]
[ 135112-28-6 ]
[ 143674-78-6 ]
[ 170642-27-0 ]
[ 135112-27-5 ]
[ 144701-24-6 ]
C65 H90 N9 O13 Pol
[ No CAS ]
26
[ 71989-31-6 ]
[ 135112-28-6 ]
[ 143674-78-6 ]
[ 170642-27-0 ]
[ 144701-24-6 ]
C61 H83 N8 O12 Pol
[ No CAS ]
27
C11 H14 N2 O
[ No CAS ]
[ 170642-27-0 ]
(9H-fluoren-9-yl)methyl ((R)-1-(((S)-2-(allylamino)-2-oxo-1-phenylethyl)amino)-1-oxobutan-2-yl)carbamate
[ No CAS ]
28
[ 170642-27-0 ]
(9H-fluoren-9-yl)methyl (R)-(1-chloro-1-oxobutan-2-yl)carbamate
[ No CAS ]
Yield Reaction Conditions Operation in experiment
With oxalyl dichloride; N,N-dimethyl-formamide; In dichloromethane; at 0 - 20℃; for 3h;
To a suspension of <strong>[170642-27-0](R)-2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)butanoic acid</strong> (4 g, 12.3 mmol) in DCM (40 mL) was added oxalyl dichloride (1.58 ml, 18.4 mmol) followed by a catalytic amount of DMF (0.095 ml,1.23 mmol) at 0 C After being stirred at rt for 3 h, the reaction mixture was concentrated. The residue was treated twice with toluene and concentrated (2 x 25 mL) to afford crude (9H- fluoren-9-yl)methyl (R)-(1-chloro-1-oxobutan-2-yl)carbamate (4.06 g, 96% yield) as a white solid.
29
[ 170642-27-0 ]
(9H-fluoren-9-yl)methyl (R)-(1-(1H-indol-3-yl)-1-oxobutan-2-yl)carbamate
[ No CAS ]
30
[ 2623-91-8 ]
[ 82911-69-1 ]
[ 170642-27-0 ]
31
[ 101555-63-9 ]
[ 82317-83-7 ]
[ 170642-27-0 ]
(4-carbamoyl-benzyl)-carbamic acid 9<i>H</i>-fluoren-9-ylmethyl ester
[ No CAS ]
C28 H33 F3 N5 O4 Pol
[ No CAS ]
32
[ 101555-63-9 ]
[ 82317-83-7 ]
[ 170642-27-0 ]
(2-carbamoyl-ethyl)-carbamic acid 9<i>H</i>-fluoren-9-ylmethyl ester
[ No CAS ]
C23 H31 F3 N5 O4 Pol
[ No CAS ]
33
C15 H19 F3 N3 O2 Pol
[ No CAS ]
[ 101555-63-9 ]
[ 170642-27-0 ]
C25 H35 F3 N5 O4 Pol
[ No CAS ]
34
C10 H10 F3 N2 OPol
[ No CAS ]
[ 101555-63-9 ]
[ 170642-27-0 ]
C20 H26 F3 N4 O3 Pol
[ No CAS ]
35
[ 35661-40-6 ]
[ 101555-63-9 ]
[ 170642-27-0 ]
[ 164470-64-8 ]
C27 H32 N7 O4 Pol
[ No CAS ]
36
C23 H27 N4 O3 Pol
[ No CAS ]
[ 108-24-7 ]
[ 170642-27-0 ]
C29 H36 N5 O5 Pol
[ No CAS ]
37
(S)-2-(4-(2-((((9H-fluoren-9-yl)methoxy)carbonyl)amino)-3-(benzylamino)-3-oxopropyl)phenoxy)acetic acid
[ No CAS ]
[ 101555-63-9 ]
[ 170642-27-0 ]
C36 H42 N7 O5 Pol
[ No CAS ]