Furan-2-carboxylic acid benzothiazol-2-ylcarbamoylmethyl ester
TL;DR: Furan-2-carboxylic acid benzothiazol-2-ylcarbamoylmethyl ester (CAS 481645-30-1) is a chemical compound with molecular formula C14H10N2O4S and molecular weight 302.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] furan-2-carboxylate
Also Known As: BAS 07023733, Furan-2-carboxylic acid benzothiazol-2-ylcarbamoylmethyl ester, (N-benzothiazol-2-ylcarbamoyl)methyl furan-2-carboxylate, 2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl furan-2-carboxylate, 2-(1,3-BENZOTHIAZOL-2-YLAMINO)-2-OXOETHYL 2-FUROATE
| Molecular Formula | C14H10N2O4S |
|---|---|
| Molecular Weight | 302.04 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 302.03613 |
| Heavy Atoms | 21 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 481645-30-1 |
|---|---|
| SMILES | C1=CC=C2C(=C1)N=C(S2)NC(=O)COC(=O)C3=CC=CO3 |
| InChIKey | BODZJVXYAGVYMB-UHFFFAOYSA-N |
Product Overview
Furan-2-carboxylic acid benzothiazol-2-ylcarbamoylmethyl ester (CAS 481645-30-1), with molecular formula C14H10N2O4S and molecular weight 302.04 g/mol. IUPAC: [2-(1,3-benzothiazol-2-ylamino)-2-oxoethyl] furan-2-carboxylate.
Chemical Property Profile of Furan-2-carboxylic acid benzothiazol-2-ylcarbamoylmethyl ester
Property Insights of Furan-2-carboxylic acid benzothiazol-2-ylcarbamoylmethyl ester
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Furan-2-carboxylic acid benzothiazol-2-ylcarbamoylmethyl ester. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Furan-2-carboxylic acid benzothiazol-2-ylcarbamoylmethyl ester. Following Lipinski's Rule of Five, Furan-2-carboxylic acid benzothiazol-2-ylcarbamoylmethyl ester has 1 hydrogen bond donor(s) and 6 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 Furan-2-carboxylic acid benzothiazol-2-ylcarbamoylmethyl ester?
The CAS number of Furan-2-carboxylic acid benzothiazol-2-ylcarbamoylmethyl ester is 481645-30-1.
What is the molecular formula of Furan-2-carboxylic acid benzothiazol-2-ylcarbamoylmethyl ester?
The molecular formula of Furan-2-carboxylic acid benzothiazol-2-ylcarbamoylmethyl ester is C14H10N2O4S.
What is the molecular weight of Furan-2-carboxylic acid benzothiazol-2-ylcarbamoylmethyl ester?
The molecular weight of Furan-2-carboxylic acid benzothiazol-2-ylcarbamoylmethyl ester is 302.04 g/mol.
Where can I buy Furan-2-carboxylic acid benzothiazol-2-ylcarbamoylmethyl ester?
You can request a quote for Furan-2-carboxylic acid benzothiazol-2-ylcarbamoylmethyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Furan-2-carboxylic acid benzothiazol-2-ylcarbamoylmethyl ester?
Yes, KEHONG BIO provides custom synthesis services for Furan-2-carboxylic acid benzothiazol-2-ylcarbamoylmethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.