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CAS 65706-99-2 1-Benzyl N-Benzyloxycarbonyl-D-glutamate molecular structure lightbox
CAS RN: 65706-99-2

1-Benzyl N-Benzyloxycarbonyl-D-glutamate

  • Product code: SSC-175345
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Historical Factory Record

Historical Supply Reference

This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.

  • Pack sizes on record: 25g
  • Available purity: >97%
  • Inventory rows with stock: 0
  • Bulk packaging: confirmed by inquiry
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Reference Pack Sizes

Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.

Recorded sizes, purity and stock details for CAS 65706-99-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
25g >97% 0 Out of Stock Beijing Inquiry

65706-99-2 / (4R)-5-oxo-5-phenylmethoxy-4-(phenylmethoxycarbonylamino)pentanoic acid

Standard CAS: 65706-99-2 Multi CAS: No
Basic Information Computed Properties Safety & Transport

Basic Information

CAS
65706-99-2
Multi CAS
No
Molecular Formula
C20H21NO6
Molecular Weight
371.400000
Exact Mass
371.136887
SMILES
C1=CC=C(C=C1)COC(=O)[C@@H](CCC(=O)O)NC(=O)OCC2=CC=CC=C2
InChI
InChI=1S/C20H21NO6/c22-18(23)12-11-17(19(24)26-13-15-7-3-1-4-8-15)21-20(25)27-14-16-9-5-2-6-10-16/h1-10,17H,11-14H2,(H,21,25)(H,22,23)/t17-/m1/s1
InChIKey
VWHKODOUMSMUAF-QGZVFWFLSA-N

Computed Properties

Structural Parameters

Heavy atom count
27
Aromatic heavy atom count
12
Fraction Csp3
0.25
Rotatable bonds
9
H-bond acceptors
5
H-bond donors
2
Molar refractivity
96.66
TPSA
101.93

LogP / Solubility

WLOGP
2.89
MLOGP
2.56
XLogP3
2.7
Consensus LogP
2.72
Log S (ESOL)
-3.7
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.69
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.55
Class (SILICOS-IT)
Slightly soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.93

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3

Safety & Transport

GHS Hazard Statements
Not Classified Reported as not meeting GHS hazard criteria by 1 of 1 companies. For more detailed information, please visit ECHA C&L website.

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