![Methyl 3-(2-(phenylsulfonyl)acetamido)benzo[b]thiophene-2-carboxylate structure](/static/products/895/895459-70-8.png)
Methyl 3-(2-(phenylsulfonyl)acetamido)benzo[b]thiophene-2-carboxylate
TL;DR: Methyl 3-(2-(phenylsulfonyl)acetamido)benzo[b]thiophene-2-carboxylate (CAS 895459-70-8) is a chemical compound with molecular formula C18H15NO5S2 and molecular weight 389.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-[[2-(benzenesulfonyl)acetyl]amino]-1-benzothiophene-2-carboxylate
Also Known As: methyl 3-[2-(benzenesulfonyl)acetamido]-1-benzothiophene-2-carboxylate, F2536-1547, methyl 3-(2-(phenylsulfonyl)acetamido)benzo[b]thiophene-2-carboxylate, methyl 3-[[2-(benzenesulfonyl)acetyl]amino]-1-benzothiophene-2-carboxylate
| Molecular Formula | C18H15NO5S2 |
|---|---|
| Molecular Weight | 389.04 g/mol |
| LogP | 3.1003 |
| Topological Polar Surface Area | 89.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 389.03915 |
| Heavy Atoms | 26 |
| Complexity | 1071.4143 |
Chemical Identifiers
| CAS Number | 895459-70-8 |
|---|---|
| SMILES | COC(=O)C1=C(C2=CC=CC=C2S1)NC(=O)CS(=O)(=O)C3=CC=CC=C3 |
Product Overview
Methyl 3-(2-(phenylsulfonyl)acetamido)benzo[b]thiophene-2-carboxylate (CAS 895459-70-8), with molecular formula C18H15NO5S2 and molecular weight 389.04 g/mol. IUPAC: methyl 3-[[2-(benzenesulfonyl)acetyl]amino]-1-benzothiophene-2-carboxylate.
Chemical Property Profile of Methyl 3-(2-(phenylsulfonyl)acetamido)benzo[b]thiophene-2-carboxylate
Property Insights of Methyl 3-(2-(phenylsulfonyl)acetamido)benzo[b]thiophene-2-carboxylate
The XLogP value of 3.1003 indicates that Methyl 3-(2-(phenylsulfonyl)acetamido)benzo[b]thiophene-2-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.54 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(2-(phenylsulfonyl)acetamido)benzo[b]thiophene-2-carboxylate. Following Lipinski's Rule of Five, Methyl 3-(2-(phenylsulfonyl)acetamido)benzo[b]thiophene-2-carboxylate 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 Methyl 3-(2-(phenylsulfonyl)acetamido)benzo[b]thiophene-2-carboxylate?
The CAS number of Methyl 3-(2-(phenylsulfonyl)acetamido)benzo[b]thiophene-2-carboxylate is 895459-70-8.
What is the molecular formula of Methyl 3-(2-(phenylsulfonyl)acetamido)benzo[b]thiophene-2-carboxylate?
The molecular formula of Methyl 3-(2-(phenylsulfonyl)acetamido)benzo[b]thiophene-2-carboxylate is C18H15NO5S2.
What is the molecular weight of Methyl 3-(2-(phenylsulfonyl)acetamido)benzo[b]thiophene-2-carboxylate?
The molecular weight of Methyl 3-(2-(phenylsulfonyl)acetamido)benzo[b]thiophene-2-carboxylate is 389.04 g/mol.
Where can I buy Methyl 3-(2-(phenylsulfonyl)acetamido)benzo[b]thiophene-2-carboxylate?
You can request a quote for Methyl 3-(2-(phenylsulfonyl)acetamido)benzo[b]thiophene-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-(2-(phenylsulfonyl)acetamido)benzo[b]thiophene-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(2-(phenylsulfonyl)acetamido)benzo[b]thiophene-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.