4-(6-Methoxy-benzothiazol-2-ylcarbamoyl)-butyric acid
TL;DR: 4-(6-Methoxy-benzothiazol-2-ylcarbamoyl)-butyric acid (CAS 76041-72-0) is a chemical compound with molecular formula C13H14N2O4S and molecular weight 294.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid
Also Known As: 4-(6-Methoxy-benzothiazol-2-ylcarbamoyl)-butyric acid, 4- -BUTYRICACID, TIMTEC-BB SBB012299, BAS 01517339, 3362AE
| Molecular Formula | C13H14N2O4S |
|---|---|
| Molecular Weight | 294.07 g/mol |
| LogP | 2.4983 |
| Topological Polar Surface Area | 88.52 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 294.0674 |
| Heavy Atoms | 20 |
| Complexity | 638.3329 |
Chemical Identifiers
| CAS Number | 76041-72-0 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)N=C(S2)NC(=O)CCCC(=O)O |
Product Overview
4-(6-Methoxy-benzothiazol-2-ylcarbamoyl)-butyric acid (CAS 76041-72-0), with molecular formula C13H14N2O4S and molecular weight 294.07 g/mol. IUPAC: 5-[(6-methoxy-1,3-benzothiazol-2-yl)amino]-5-oxopentanoic acid.
Chemical Property Profile of 4-(6-Methoxy-benzothiazol-2-ylcarbamoyl)-butyric acid
Property Insights of 4-(6-Methoxy-benzothiazol-2-ylcarbamoyl)-butyric acid
The XLogP value of 2.4983 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(6-Methoxy-benzothiazol-2-ylcarbamoyl)-butyric acid. The TPSA of 88.52 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(6-Methoxy-benzothiazol-2-ylcarbamoyl)-butyric acid. Following Lipinski's Rule of Five, 4-(6-Methoxy-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-(6-Methoxy-benzothiazol-2-ylcarbamoyl)-butyric acid?
The CAS number of 4-(6-Methoxy-benzothiazol-2-ylcarbamoyl)-butyric acid is 76041-72-0.
What is the molecular formula of 4-(6-Methoxy-benzothiazol-2-ylcarbamoyl)-butyric acid?
The molecular formula of 4-(6-Methoxy-benzothiazol-2-ylcarbamoyl)-butyric acid is C13H14N2O4S.
What is the molecular weight of 4-(6-Methoxy-benzothiazol-2-ylcarbamoyl)-butyric acid?
The molecular weight of 4-(6-Methoxy-benzothiazol-2-ylcarbamoyl)-butyric acid is 294.07 g/mol.
Where can I buy 4-(6-Methoxy-benzothiazol-2-ylcarbamoyl)-butyric acid?
You can request a quote for 4-(6-Methoxy-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-(6-Methoxy-benzothiazol-2-ylcarbamoyl)-butyric acid?
Yes, KEHONG BIO provides custom synthesis services for 4-(6-Methoxy-benzothiazol-2-ylcarbamoyl)-butyric acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.