N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide
TL;DR: N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide (CAS 496032-82-7) is a chemical compound with molecular formula C18H16ClNO2S and molecular weight 345.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide
Also Known As: N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide, BAS 05229561, AN-329/41189598, (3-chloro-6-methoxybenzo[b]thiophen-2-yl)-N-methyl-N-benzylcarboxamide, 3-Chloro-6-methoxy-benzo[b]thiophene-2-carboxylic acid benzyl-methyl-amide
| Molecular Formula | C18H16ClNO2S |
|---|---|
| Molecular Weight | 345.06 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 345.05902 |
| Heavy Atoms | 23 |
| Complexity | 416.0 |
Chemical Identifiers
| CAS Number | 496032-82-7 |
|---|---|
| SMILES | CN(CC1=CC=CC=C1)C(=O)C2=C(C3=C(S2)C=C(C=C3)OC)Cl |
| InChIKey | XTRMEYDUCVBSDK-UHFFFAOYSA-N |
Product Overview
N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide (CAS 496032-82-7), with molecular formula C18H16ClNO2S and molecular weight 345.06 g/mol. IUPAC: N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide
Property Insights of N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide
The XLogP value of 4.8 indicates that N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 57.8 Ų, N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide has 0 hydrogen bond donor(s) and 3 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 N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
The CAS number of N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide is 496032-82-7.
What is the molecular formula of N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
The molecular formula of N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide is C18H16ClNO2S.
What is the molecular weight of N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
The molecular weight of N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide is 345.06 g/mol.
Where can I buy N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
You can request a quote for N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-3-chloro-6-methoxy-N-methyl-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.