N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-1-benzothiophene-2-carboxamide
TL;DR: N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-1-benzothiophene-2-carboxamide (CAS 294875-03-9) is a chemical compound with molecular formula C17H12ClNO3S and molecular weight 345.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-1-benzothiophene-2-carboxamide
Also Known As: BIM-0034110.P001, F0305-0026, N-[(2H-1,3-benzodioxol-5-yl)methyl]-3-chloro-1-benzothiophene-2-carboxamide, N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-1-benzothiophene-2-carboxamide, N-(benzo[d][1,3]dioxol-5-ylmethyl)-3-chlorobenzo[b]thiophene-2-carboxamide
| Molecular Formula | C17H12ClNO3S |
|---|---|
| Molecular Weight | 345.02 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 75.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 345.02264 |
| Heavy Atoms | 23 |
| Complexity | 452.0 |
Chemical Identifiers
| CAS Number | 294875-03-9 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC(=O)C3=C(C4=CC=CC=C4S3)Cl |
| InChIKey | UQUCTANHHAXWHB-UHFFFAOYSA-N |
Product Overview
N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-1-benzothiophene-2-carboxamide (CAS 294875-03-9), with molecular formula C17H12ClNO3S and molecular weight 345.02 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-3-chloro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-1-benzothiophene-2-carboxamide
Property Insights of N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-1-benzothiophene-2-carboxamide
The XLogP value of 4.5 indicates that N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.8 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 4 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-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-1-benzothiophene-2-carboxamide?
The CAS number of N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-1-benzothiophene-2-carboxamide is 294875-03-9.
What is the molecular formula of N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-1-benzothiophene-2-carboxamide?
The molecular formula of N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-1-benzothiophene-2-carboxamide is C17H12ClNO3S.
What is the molecular weight of N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-1-benzothiophene-2-carboxamide?
The molecular weight of N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-1-benzothiophene-2-carboxamide is 345.02 g/mol.
Where can I buy N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-1-benzothiophene-2-carboxamide?
You can request a quote for N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-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-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-Benzodioxol-5-ylmethyl)-3-chloro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.