![Methyl 4-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)benzoate structure](/static/products/831/831205-40-4.png)
Methyl 4-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)benzoate
TL;DR: Methyl 4-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)benzoate (CAS 831205-40-4) is a chemical compound with molecular formula C17H11Cl2NO3S and molecular weight 378.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]benzoate
Also Known As: methyl 4-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)benzoate, methyl 4-{[(3,6-dichloro-1-benzothiophen-2-yl)carbonyl]amino}benzoate
| Molecular Formula | C17H11Cl2NO3S |
|---|---|
| Molecular Weight | 378.98 g/mol |
| LogP | 5.247 |
| Topological Polar Surface Area | 55.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 378.98367 |
| Heavy Atoms | 24 |
| Complexity | 934.9087 |
Chemical Identifiers
| CAS Number | 831205-40-4 |
|---|---|
| SMILES | COC(=O)C1=CC=C(C=C1)NC(=O)C2=C(C3=C(S2)C=C(C=C3)Cl)Cl |
Product Overview
Methyl 4-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)benzoate (CAS 831205-40-4), with molecular formula C17H11Cl2NO3S and molecular weight 378.98 g/mol. IUPAC: methyl 4-[(3,6-dichloro-1-benzothiophene-2-carbonyl)amino]benzoate.
Chemical Property Profile of Methyl 4-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)benzoate
Property Insights of Methyl 4-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)benzoate
The XLogP value of 5.247 indicates that Methyl 4-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.4 Ų, Methyl 4-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 4-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)benzoate has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Methyl 4-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)benzoate?
The CAS number of Methyl 4-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)benzoate is 831205-40-4.
What is the molecular formula of Methyl 4-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)benzoate?
The molecular formula of Methyl 4-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)benzoate is C17H11Cl2NO3S.
What is the molecular weight of Methyl 4-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)benzoate?
The molecular weight of Methyl 4-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)benzoate is 378.98 g/mol.
Where can I buy Methyl 4-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)benzoate?
You can request a quote for Methyl 4-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 4-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 4-(3,6-dichlorobenzo[b]thiophene-2-carboxamido)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.