[ CAS No. 20866-48-2 ] {[proInfo.proName]}

Name: 20866-48-2|Boc-Tyr(Boc)-OH|95%
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SKU: A616048
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Quality Control of [ 20866-48-2 ]

COA NMR CNMR HPLC LC-MS

Related Doc. of [ 20866-48-2 ]

SDS Specification

Alternatived Products of [ 20866-48-2 ]

Product Details of [ 20866-48-2 ]

CAS No. :	20866-48-2	MDL No. :	MFCD00038856
Formula :	C₁₉H₂₇NO₇	Boiling Point :	-
Linear Structure Formula :	-	InChI Key :	MRYIHKCPPKHOPJ-AWEZNQCLSA-N
M.W :	381.42	Pubchem ID :	7010630
Synonyms :

Calculated chemistry of [ 20866-48-2 ]

Physicochemical Properties

Num. heavy atoms :	27
Num. arom. heavy atoms :	6
Fraction Csp3 :	0.53
Num. rotatable bonds :	11
Num. H-bond acceptors :	7.0
Num. H-bond donors :	2.0
Molar Refractivity :	98.77
TPSA :	111.16 Å²

Pharmacokinetics

GI absorption :	High
BBB permeant :	No
P-gp substrate :	Yes
CYP1A2 inhibitor :	No
CYP2C19 inhibitor :	Yes
CYP2C9 inhibitor :	Yes
CYP2D6 inhibitor :	No
CYP3A4 inhibitor :	No
Log Kp (skin permeation) :	-5.64 cm/s

Lipophilicity

Log Po/w (iLOGP) :	3.04
Log Po/w (XLOGP3) :	4.2
Log Po/w (WLOGP) :	3.52
Log Po/w (MLOGP) :	2.19
Log Po/w (SILICOS-IT) :	2.2
Consensus Log Po/w :	3.03

Druglikeness

Lipinski :	0.0
Ghose :	None
Veber :	1.0
Egan :	0.0
Muegge :	0.0
Bioavailability Score :	0.56

Water Solubility

Log S (ESOL) :	-4.29
Solubility :	0.0196 mg/ml ; 0.0000514 mol/l
Class :	Moderately soluble
Log S (Ali) :	-6.24
Solubility :	0.000218 mg/ml ; 0.00000057 mol/l
Class :	Poorly soluble
Log S (SILICOS-IT) :	-3.75
Solubility :	0.0674 mg/ml ; 0.000177 mol/l
Class :	Soluble

Medicinal Chemistry

PAINS :	0.0 alert
Brenk :	2.0 alert
Leadlikeness :	3.0
Synthetic accessibility :	3.53

Safety of [ 20866-48-2 ]

Signal Word:	Warning	Class:	N/A
Precautionary Statements:	P261	UN#:	N/A
Hazard Statements:	H302-H315-H319-H335	Packing Group:	N/A
GHS Pictogram:

Application In Synthesis of [ 20866-48-2 ]

* 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.

Downstream synthetic route of [ 20866-48-2 ]

[ 20866-48-2 ] Synthesis Path-Downstream 1~20

1
[ 20866-48-2 ]
[ 35661-40-6 ]
[ 71989-14-5 ]
[ 125238-99-5 ]
[ 110116-75-1 ]

Reference： [1]Journal of Medicinal Chemistry,1987,vol. 30,p. 2094 - 2099

2
[ 20866-48-2 ]
[ 35661-40-6 ]
[ 71989-14-5 ]
(R)-N₅-(tert.-butoxy-carbonyl)-N₂-(9-fluorenylmethoxycarbonyl)-ornithine [ No CAS ]
[ 106818-61-5 ]

Reference： [1]Journal of Medicinal Chemistry,1987,vol. 30,p. 2094 - 2099

3
[ 20866-48-2 ]
[ 71989-14-5 ]
[ 77128-73-5 ]
(R)-N₅-(tert.-butoxy-carbonyl)-N₂-(9-fluorenylmethoxycarbonyl)-ornithine [ No CAS ]
[ 106327-80-4 ]

Reference： [1]Journal of Medicinal Chemistry,1987,vol. 30,p. 2094 - 2099

4
[ 20866-48-2 ]
[ 71989-14-5 ]
[ 132684-59-4 ]
(R)-N₅-(tert.-butoxy-carbonyl)-N₂-(9-fluorenylmethoxycarbonyl)-ornithine [ No CAS ]
[ 110116-74-0 ]

Reference： [1]Journal of Medicinal Chemistry,1987,vol. 30,p. 2094 - 2099

5
[ 20866-48-2 ]
[ 71989-14-5 ]
[ 95753-55-2 ]
(R)-N₅-(tert.-butoxy-carbonyl)-N₂-(9-fluorenylmethoxycarbonyl)-ornithine [ No CAS ]
[ 106327-79-1 ]

Reference： [1]Journal of Medicinal Chemistry,1987,vol. 30,p. 2094 - 2099

6
[ 20866-48-2 ]
[ 71989-14-5 ]
[ 102410-65-1 ]
(R)-N₅-(tert.-butoxy-carbonyl)-N₂-(9-fluorenylmethoxycarbonyl)-ornithine [ No CAS ]
[ 110116-73-9 ]

Reference： [1]Journal of Medicinal Chemistry,1987,vol. 30,p. 2094 - 2099

7
[ 20866-48-2 ]
[ 67605-64-5 ]
Carbonic acid 4-{(S)-2-tert-butoxycarbonylamino-2-[4-((1Z,4Z,9Z,15Z)-10,15,20-triphenyl-porphyrin-5-yl)-phenylcarbamoyl]-ethyl}-phenyl ester tert-butyl ester [ No CAS ]

Reference： [1]Doklady Chemistry,1994,vol. 337,p. 133 - 135
Doklady Akademii Nauk SSSR,1994,vol. 337,p. 205 - 207

8
[ 13734-34-4 ]
[ 20866-48-2 ]
[ 5241-66-7 ]
[ 35899-43-5 ]
Boc-Leu-OH, Boc-Met-OH, Boc-Asp(benzyl)-OH [ No CAS ]
[ 119975-64-3 ]