N-(1,3-benzodioxol-5-yl)-3,4-dichloro-1-benzothiophene-2-carboxamide
TL;DR: N-(1,3-benzodioxol-5-yl)-3,4-dichloro-1-benzothiophene-2-carboxamide (CAS 490016-75-6) is a chemical compound with molecular formula C16H9Cl2NO3S and molecular weight 364.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-yl)-3,4-dichloro-1-benzothiophene-2-carboxamide
Also Known As: BAS 05494555, N-(1,3-benzodioxol-5-yl)-3,4-dichloro-1-benzothiophene-2-carboxamide, 3,4-Dichloro-benzo[b]thiophene-2-carboxylic acid benzo[1,3]dioxol-5-ylamide, N-(2H-benzo[3,4-d]1,3-dioxolan-5-yl)(3,4-dichlorobenzo[b]thiophen-2-yl)carboxa mide, Cambridge id 7241023
| Molecular Formula | C16H9Cl2NO3S |
|---|---|
| Molecular Weight | 364.97 g/mol |
| LogP | 5.1891 |
| Topological Polar Surface Area | 47.56 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 364.96802 |
| Heavy Atoms | 23 |
| Complexity | 938.4652 |
Chemical Identifiers
| CAS Number | 490016-75-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)NC(=O)C3=C(C4=C(S3)C=CC=C4Cl)Cl |
Product Overview
N-(1,3-benzodioxol-5-yl)-3,4-dichloro-1-benzothiophene-2-carboxamide (CAS 490016-75-6), with molecular formula C16H9Cl2NO3S and molecular weight 364.97 g/mol. IUPAC: N-(1,3-benzodioxol-5-yl)-3,4-dichloro-1-benzothiophene-2-carboxamide.
Chemical Property Profile of N-(1,3-benzodioxol-5-yl)-3,4-dichloro-1-benzothiophene-2-carboxamide
Property Insights of N-(1,3-benzodioxol-5-yl)-3,4-dichloro-1-benzothiophene-2-carboxamide
The XLogP value of 5.1891 indicates that N-(1,3-benzodioxol-5-yl)-3,4-dichloro-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 47.56 Ų, N-(1,3-benzodioxol-5-yl)-3,4-dichloro-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-yl)-3,4-dichloro-1-benzothiophene-2-carboxamide 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 N-(1,3-benzodioxol-5-yl)-3,4-dichloro-1-benzothiophene-2-carboxamide?
The CAS number of N-(1,3-benzodioxol-5-yl)-3,4-dichloro-1-benzothiophene-2-carboxamide is 490016-75-6.
What is the molecular formula of N-(1,3-benzodioxol-5-yl)-3,4-dichloro-1-benzothiophene-2-carboxamide?
The molecular formula of N-(1,3-benzodioxol-5-yl)-3,4-dichloro-1-benzothiophene-2-carboxamide is C16H9Cl2NO3S.
What is the molecular weight of N-(1,3-benzodioxol-5-yl)-3,4-dichloro-1-benzothiophene-2-carboxamide?
The molecular weight of N-(1,3-benzodioxol-5-yl)-3,4-dichloro-1-benzothiophene-2-carboxamide is 364.97 g/mol.
Where can I buy N-(1,3-benzodioxol-5-yl)-3,4-dichloro-1-benzothiophene-2-carboxamide?
You can request a quote for N-(1,3-benzodioxol-5-yl)-3,4-dichloro-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-yl)-3,4-dichloro-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-yl)-3,4-dichloro-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.