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CAS 1095823-37-2 2-[1-(Cbz-aMino)Methyl]-5… molecular structure lightbox
CAS RN: 1095823-37-2

2-[1-(Cbz-aMino)Methyl]-5…

  • Product code: SSC-010953
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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 1095823-37-2
Pack Size Recorded Purity Available Qty Ship From Inquiry
1g ＞95% 0 Out of Stock Shenzhen Inquiry

1095823-37-2 / 2-(phenylmethoxycarbonylaminomethyl)-1,3-thiazole-5-carboxylic acid

2-((((BENZYLOXY)CARBONYL)AMINO)METHYL)THIAZOLE-5-CARBOXYLIC ACID | 2-[1-(CBZ-AMINO)METHYL]-5-THIAZOLECARBOXYLIC ACID | 2-({[(benzyloxy)carbonyl]amino}methyl)-1,3-thiazole-5-carboxylic acid

Standard CAS: 1095823-37-2 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1095823-37-2
Multi CAS
No
Molecular Formula
C13H12N2O4S
Molecular Weight
292.310000
Exact Mass
292.051778
SMILES
C1=CC=C(C=C1)COC(=O)NCC2=NC=C(S2)C(=O)O
InChI
InChI=1S/C13H12N2O4S/c16-12(17)10-6-14-11(20-10)7-15-13(18)19-8-9-4-2-1-3-5-9/h1-6H,7-8H2,(H,15,18)(H,16,17)
InChIKey
SCGGRPVGUJMOLY-UHFFFAOYSA-N
Synonyms
2-((((BENZYLOXY)CARBONYL)AMINO)METHYL)THIAZOLE-5-CARBOXYLIC ACID 2-[1-(CBZ-AMINO)METHYL]-5-THIAZOLECARBOXYLIC ACID 2-({[(benzyloxy)carbonyl]amino}methyl)-1,3-thiazole-5-carboxylic acid MFCD17214408 2-(Benzyloxycarbonylaminomethyl)thiazole-5-carboxylic acid

Computed Properties

Structural Parameters

Heavy atom count
20
Aromatic heavy atom count
11
Fraction Csp3
0.15
Rotatable bonds
5
H-bond acceptors
5
H-bond donors
2
Molar refractivity
72.54
TPSA
88.52

LogP / Solubility

WLOGP
2.27
MLOGP
2.01
XLogP3
1.9
Consensus LogP
2.06
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.59
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.04
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
No
Log Kp (skin permeation)
-2.89

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5

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