2,3-Bis(acetyloxy)-3-(1,3-benzothiazol-2-yl)propanoic acid
TL;DR: 2,3-Bis(acetyloxy)-3-(1,3-benzothiazol-2-yl)propanoic acid (CAS 97338-86-8) is a chemical compound with molecular formula C14H13NO6S and molecular weight 323.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,3-diacetyloxy-3-(1,3-benzothiazol-2-yl)propanoic acid
Also Known As: 2,3-bis(acetyloxy)-3-(1,3-benzothiazol-2-yl)propanoic acid, 2,3-BIS -3- PROPANOICACID, 2,3-diacetyloxy-3-(1,3-benzothiazol-2-yl)propanoic acid, 2,3-Diacetoxy-3-(benzo[d]thiazol-2-yl)propanoic acid, 2,3-diacetyloxy-3-benzothiazol-2-yl-propanoic Acid
| Molecular Formula | C14H13NO6S |
|---|---|
| Molecular Weight | 323.05 g/mol |
| LogP | 1.9168 |
| Topological Polar Surface Area | 102.79 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 323.04636 |
| Heavy Atoms | 22 |
| Complexity | 691.9463 |
Chemical Identifiers
| CAS Number | 97338-86-8 |
|---|---|
| SMILES | CC(=O)OC(C1=NC2=CC=CC=C2S1)C(C(=O)O)OC(=O)C |
Product Overview
2,3-Bis(acetyloxy)-3-(1,3-benzothiazol-2-yl)propanoic acid (CAS 97338-86-8), with molecular formula C14H13NO6S and molecular weight 323.05 g/mol. IUPAC: 2,3-diacetyloxy-3-(1,3-benzothiazol-2-yl)propanoic acid.
Chemical Property Profile of 2,3-Bis(acetyloxy)-3-(1,3-benzothiazol-2-yl)propanoic acid
Property Insights of 2,3-Bis(acetyloxy)-3-(1,3-benzothiazol-2-yl)propanoic acid
The XLogP value of 1.9168 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,3-Bis(acetyloxy)-3-(1,3-benzothiazol-2-yl)propanoic acid. The TPSA of 102.79 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3-Bis(acetyloxy)-3-(1,3-benzothiazol-2-yl)propanoic acid. Following Lipinski's Rule of Five, 2,3-Bis(acetyloxy)-3-(1,3-benzothiazol-2-yl)propanoic acid has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3-Bis(acetyloxy)-3-(1,3-benzothiazol-2-yl)propanoic acid?
The CAS number of 2,3-Bis(acetyloxy)-3-(1,3-benzothiazol-2-yl)propanoic acid is 97338-86-8.
What is the molecular formula of 2,3-Bis(acetyloxy)-3-(1,3-benzothiazol-2-yl)propanoic acid?
The molecular formula of 2,3-Bis(acetyloxy)-3-(1,3-benzothiazol-2-yl)propanoic acid is C14H13NO6S.
What is the molecular weight of 2,3-Bis(acetyloxy)-3-(1,3-benzothiazol-2-yl)propanoic acid?
The molecular weight of 2,3-Bis(acetyloxy)-3-(1,3-benzothiazol-2-yl)propanoic acid is 323.05 g/mol.
Where can I buy 2,3-Bis(acetyloxy)-3-(1,3-benzothiazol-2-yl)propanoic acid?
You can request a quote for 2,3-Bis(acetyloxy)-3-(1,3-benzothiazol-2-yl)propanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3-Bis(acetyloxy)-3-(1,3-benzothiazol-2-yl)propanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 2,3-Bis(acetyloxy)-3-(1,3-benzothiazol-2-yl)propanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.