![Methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate structure](/static/products/892/892855-84-4.png)
Methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate
TL;DR: Methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate (CAS 892855-84-4) is a chemical compound with molecular formula C18H16N2O5S2 and molecular weight 404.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate
Also Known As: methyl 2-[3-(benzenesulfonyl)propanamido]-1,3-benzothiazole-6-carboxylate, methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate, 2-(3-besylpropanoylamino)-1,3-benzothiazole-6-carboxylic acid methyl ester, methyl 2-(3-(phenylsulfonyl)propanamido)benzo[d]thiazole-6-carboxylate, methyl 2-[3-(phenylsulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate
| Molecular Formula | C18H16N2O5S2 |
|---|---|
| Molecular Weight | 404.05 g/mol |
| LogP | 2.8854 |
| Topological Polar Surface Area | 102.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 404.05005 |
| Heavy Atoms | 27 |
| Complexity | 1091.3973 |
Chemical Identifiers
| CAS Number | 892855-84-4 |
|---|---|
| SMILES | COC(=O)C1=CC2=C(C=C1)N=C(S2)NC(=O)CCS(=O)(=O)C3=CC=CC=C3 |
Product Overview
Methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate (CAS 892855-84-4), with molecular formula C18H16N2O5S2 and molecular weight 404.05 g/mol. IUPAC: methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate.
Chemical Property Profile of Methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate
Property Insights of Methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate
The XLogP value of 2.8854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate. The TPSA of 102.43 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate. Following Lipinski's Rule of Five, Methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate 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 Methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate?
The CAS number of Methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate is 892855-84-4.
What is the molecular formula of Methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate?
The molecular formula of Methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate is C18H16N2O5S2.
What is the molecular weight of Methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate?
The molecular weight of Methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate is 404.05 g/mol.
Where can I buy Methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate?
You can request a quote for Methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-[3-(benzenesulfonyl)propanoylamino]-1,3-benzothiazole-6-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.