4-(Benzothiazol-2-ylcarbamoyl)-butyric acid
TL;DR: 4-(Benzothiazol-2-ylcarbamoyl)-butyric acid (CAS 299937-45-4) is a chemical compound with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(1,3-benzothiazol-2-ylamino)-5-oxopentanoic acid
Also Known As: 4-(Benzothiazol-2-ylcarbamoyl)-butyric acid, IFLab1_005037, BAS 02072402, 5-(1,3-Benzothiazol-2-ylamino)-5-oxopentanoic acid, 4-[(1,3-benzothiazol-2-yl)carbamoyl]butanoic acid
| Molecular Formula | C12H12N2O3S |
|---|---|
| Molecular Weight | 264.06 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 264.05685 |
| Heavy Atoms | 18 |
| Complexity | 324.0 |
Chemical Identifiers
| CAS Number | 299937-45-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=O)CCCC(=O)O |
| InChIKey | VWJNBVIMTRPISG-UHFFFAOYSA-N |
Product Overview
4-(Benzothiazol-2-ylcarbamoyl)-butyric acid (CAS 299937-45-4), with molecular formula C12H12N2O3S and molecular weight 264.06 g/mol. IUPAC: 5-(1,3-benzothiazol-2-ylamino)-5-oxopentanoic acid.
Chemical Property Profile of 4-(Benzothiazol-2-ylcarbamoyl)-butyric acid
Property Insights of 4-(Benzothiazol-2-ylcarbamoyl)-butyric acid
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(Benzothiazol-2-ylcarbamoyl)-butyric acid. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Benzothiazol-2-ylcarbamoyl)-butyric acid. Following Lipinski's Rule of Five, 4-(Benzothiazol-2-ylcarbamoyl)-butyric acid has 2 hydrogen bond donor(s) and 5 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 4-(Benzothiazol-2-ylcarbamoyl)-butyric acid?
The CAS number of 4-(Benzothiazol-2-ylcarbamoyl)-butyric acid is 299937-45-4.
What is the molecular formula of 4-(Benzothiazol-2-ylcarbamoyl)-butyric acid?
The molecular formula of 4-(Benzothiazol-2-ylcarbamoyl)-butyric acid is C12H12N2O3S.
What is the molecular weight of 4-(Benzothiazol-2-ylcarbamoyl)-butyric acid?
The molecular weight of 4-(Benzothiazol-2-ylcarbamoyl)-butyric acid is 264.06 g/mol.
Where can I buy 4-(Benzothiazol-2-ylcarbamoyl)-butyric acid?
You can request a quote for 4-(Benzothiazol-2-ylcarbamoyl)-butyric acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzothiazol-2-ylcarbamoyl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzothiazol-2-ylcarbamoyl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.