5-(Benzothiazol-2-ylcarbamoyl)-pentanoic acid
TL;DR: 5-(Benzothiazol-2-ylcarbamoyl)-pentanoic acid (CAS 387358-54-5) is a chemical compound with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoic acid
Also Known As: 5-(Benzothiazol-2-ylcarbamoyl)-pentanoic acid, 6-(Benzo[d]Thiazol-2-ylamino)-6-oxohexanoic acid, 5-(3,4-Difluorophenyl)isoxazole, 9882AD, BAS 00463575
| Molecular Formula | C13H14N2O3S |
|---|---|
| Molecular Weight | 278.07 g/mol |
| LogP | 2.8798 |
| Topological Polar Surface Area | 79.29 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 278.0725 |
| Heavy Atoms | 19 |
| Complexity | 561.34076 |
Chemical Identifiers
| CAS Number | 387358-54-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=O)CCCCC(=O)O |
Product Overview
5-(Benzothiazol-2-ylcarbamoyl)-pentanoic acid (CAS 387358-54-5), with molecular formula C13H14N2O3S and molecular weight 278.07 g/mol. IUPAC: 6-(1,3-benzothiazol-2-ylamino)-6-oxohexanoic acid.
Chemical Property Profile of 5-(Benzothiazol-2-ylcarbamoyl)-pentanoic acid
Property Insights of 5-(Benzothiazol-2-ylcarbamoyl)-pentanoic acid
The XLogP value of 2.8798 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(Benzothiazol-2-ylcarbamoyl)-pentanoic acid. The TPSA of 79.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-(Benzothiazol-2-ylcarbamoyl)-pentanoic acid. Following Lipinski's Rule of Five, 5-(Benzothiazol-2-ylcarbamoyl)-pentanoic acid has 2 hydrogen bond donor(s) and 4 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 5-(Benzothiazol-2-ylcarbamoyl)-pentanoic acid?
The CAS number of 5-(Benzothiazol-2-ylcarbamoyl)-pentanoic acid is 387358-54-5.
What is the molecular formula of 5-(Benzothiazol-2-ylcarbamoyl)-pentanoic acid?
The molecular formula of 5-(Benzothiazol-2-ylcarbamoyl)-pentanoic acid is C13H14N2O3S.
What is the molecular weight of 5-(Benzothiazol-2-ylcarbamoyl)-pentanoic acid?
The molecular weight of 5-(Benzothiazol-2-ylcarbamoyl)-pentanoic acid is 278.07 g/mol.
Where can I buy 5-(Benzothiazol-2-ylcarbamoyl)-pentanoic acid?
You can request a quote for 5-(Benzothiazol-2-ylcarbamoyl)-pentanoic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(Benzothiazol-2-ylcarbamoyl)-pentanoic acid?
Yes, KEHONG BIO provides custom synthesis services for 5-(Benzothiazol-2-ylcarbamoyl)-pentanoic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.