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CAS 1145-32-0 Benzoylglycylglycine molecular structure lightbox
CAS RN: 1145-32-0

Benzoylglycylglycine

  • Product code: SSC-014261
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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: 1g
  • Available purity: ≥95%
  • 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 1145-32-0
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ≥95% 0 Out of Stock Hong Kong Inquiry

1145-32-0 / 2-[(2-benzamidoacetyl)amino]acetic acid

N-Hippurylglycine | N-(N-Benzoylglycyl)glycine | DTXSID70150748

Standard CAS: 1145-32-0 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
1145-32-0
Multi CAS
Yes
Molecular Formula
C11H12N2O4
Molecular Weight
236.220000
Exact Mass
236.079707
SMILES
C1=CC=C(C=C1)C(=O)NCC(=O)NCC(=O)O
InChI
InChI=1S/C11H12N2O4/c14-9(12-7-10(15)16)6-13-11(17)8-4-2-1-3-5-8/h1-5H,6-7H2,(H,12,14)(H,13,17)(H,15,16)
InChIKey
FWYPSSZPXQVFRB-UHFFFAOYSA-N
Synonyms
N-Hippurylglycine N-(N-Benzoylglycyl)glycine DTXSID70150748 RefChem:927174 DTXCID6073239

Computed Properties

Structural Parameters

Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.18
Rotatable bonds
5
H-bond acceptors
3
H-bond donors
3
Molar refractivity
59.42
TPSA
95.5

LogP / Solubility

WLOGP
-0.38
MLOGP
-0.33
XLogP3
-0.3
Consensus LogP
-0.34
Log S (ESOL)
-0.99
Class (ESOL)
Very soluble
Log S (Ali)
-1.22
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.48
Class (SILICOS-IT)
Soluble

ADME

GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.43

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5

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