Home Cart 0 Sign in  

[ CAS No. 73821-97-3 ] {[proInfo.proName]}

,{[proInfo.pro_purity]}
Cat. No.: {[proInfo.prAm]}
Chemical Structure| 73821-97-3
Chemical Structure| 73821-97-3
Structure of 73821-97-3 * Storage: {[proInfo.prStorage]}
Cart0 Add to My Favorites Add to My Favorites Bulk Inquiry Inquiry Add To Cart

Quality Control of [ 73821-97-3 ]

Related Doc. of [ 73821-97-3 ]

Alternatived Products of [ 73821-97-3 ]

Product Details of [ 73821-97-3 ]

CAS No. :73821-97-3 MDL No. :MFCD00065570
Formula : C16H27NO6 Boiling Point : -
Linear Structure Formula :- InChI Key :FDNMLANBNJDIRG-LBPRGKRZSA-N
M.W :329.39 Pubchem ID :7017890
Synonyms :
Boc-Glu(OcHex)-OH

Calculated chemistry of [ 73821-97-3 ]

Physicochemical Properties

Num. heavy atoms : 23
Num. arom. heavy atoms : 0
Fraction Csp3 : 0.81
Num. rotatable bonds : 10
Num. H-bond acceptors : 6.0
Num. H-bond donors : 2.0
Molar Refractivity : 84.48
TPSA : 101.93 Ų

Pharmacokinetics

GI absorption : High
BBB permeant : No
P-gp substrate : Yes
CYP1A2 inhibitor : No
CYP2C19 inhibitor : Yes
CYP2C9 inhibitor : No
CYP2D6 inhibitor : No
CYP3A4 inhibitor : No
Log Kp (skin permeation) : -6.5 cm/s

Lipophilicity

Log Po/w (iLOGP) : 2.82
Log Po/w (XLOGP3) : 2.55
Log Po/w (WLOGP) : 2.62
Log Po/w (MLOGP) : 1.45
Log Po/w (SILICOS-IT) : 1.68
Consensus Log Po/w : 2.23

Druglikeness

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

Water Solubility

Log S (ESOL) : -2.83
Solubility : 0.489 mg/ml ; 0.00148 mol/l
Class : Soluble
Log S (Ali) : -4.34
Solubility : 0.0151 mg/ml ; 0.0000459 mol/l
Class : Moderately soluble
Log S (SILICOS-IT) : -2.16
Solubility : 2.26 mg/ml ; 0.00687 mol/l
Class : Soluble

Medicinal Chemistry

PAINS : 0.0 alert
Brenk : 1.0 alert
Leadlikeness : 1.0
Synthetic accessibility : 3.57

Safety of [ 73821-97-3 ]

Signal Word:Warning Class:N/A
Precautionary Statements:P261-P280-P305+P351+P338 UN#:N/A
Hazard Statements:H302-H315-H319-H332-H335 Packing Group:N/A
GHS Pictogram:

Application In Synthesis of [ 73821-97-3 ]

* 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 [ 73821-97-3 ]
  • Downstream synthetic route of [ 73821-97-3 ]

[ 73821-97-3 ] Synthesis Path-Upstream   1~2

  • 1
  • [ 56-86-0 ]
  • [ 73821-97-3 ]
Reference: [1] Synthesis, 1992, # 4, p. 361 - 362
  • 2
  • [ 24424-99-5 ]
  • [ 112471-82-6 ]
  • [ 73821-97-3 ]
Reference: [1] Synthesis, 1992, # 4, p. 361 - 362
Same Skeleton Products
Historical Records

Related Functional Groups of
[ 73821-97-3 ]

Amino Acid Derivatives

Chemical Structure| 104719-63-3

[ 104719-63-3 ]

Boc-D-Glu(OtBu)-OH

Similarity: 0.98

Chemical Structure| 7750-42-7

[ 7750-42-7 ]

(S)-tert-Butyl 6-amino-2-((tert-butoxycarbonyl)amino)hexanoate

Similarity: 0.97

Chemical Structure| 24277-39-2

[ 24277-39-2 ]

Boc-Glu-OtBu

Similarity: 0.97

Chemical Structure| 45214-91-3

[ 45214-91-3 ]

(S)-2-((tert-Butoxycarbonyl)amino)-5-methoxy-5-oxopentanoic acid

Similarity: 0.96

Chemical Structure| 73821-95-1

[ 73821-95-1 ]

Boc-Asp(OcHx)-OH

Similarity: 0.95