3,6-dichloro-N-(propan-2-yl)-1-benzothiophene-2-carboxamide
TL;DR: 3,6-dichloro-N-(propan-2-yl)-1-benzothiophene-2-carboxamide (CAS 314045-98-2) is a chemical compound with molecular formula C12H11Cl2NOS and molecular weight 286.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,6-dichloro-N-propan-2-yl-1-benzothiophene-2-carboxamide
Also Known As: BAS 00664088, 3,6-dichloro-N-(propan-2-yl)-1-benzothiophene-2-carboxamide, 3,6-Dichloro-N-isopropylbenzo[b]thiophene-2-carboxamide, 3,6-dichloro-N-propan-2-yl-1-benzothiophene-2-carboxamide, 3,6-Dichloro-benzo[b]thiophene-2-carboxylic acid isopropylamide
| Molecular Formula | C12H11Cl2NOS |
|---|---|
| Molecular Weight | 286.99 g/mol |
| LogP | 4.3463 |
| Topological Polar Surface Area | 29.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 286.99384 |
| Heavy Atoms | 17 |
| Complexity | 577.13446 |
Chemical Identifiers
| CAS Number | 314045-98-2 |
|---|---|
| SMILES | CC(C)NC(=O)C1=C(C2=C(S1)C=C(C=C2)Cl)Cl |
Product Overview
3,6-dichloro-N-(propan-2-yl)-1-benzothiophene-2-carboxamide (CAS 314045-98-2), with molecular formula C12H11Cl2NOS and molecular weight 286.99 g/mol. IUPAC: 3,6-dichloro-N-propan-2-yl-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3,6-dichloro-N-(propan-2-yl)-1-benzothiophene-2-carboxamide
Property Insights of 3,6-dichloro-N-(propan-2-yl)-1-benzothiophene-2-carboxamide
The XLogP value of 4.3463 indicates that 3,6-dichloro-N-(propan-2-yl)-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 29.1 Ų, 3,6-dichloro-N-(propan-2-yl)-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,6-dichloro-N-(propan-2-yl)-1-benzothiophene-2-carboxamide has 1 hydrogen bond donor(s) and 2 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 3,6-dichloro-N-(propan-2-yl)-1-benzothiophene-2-carboxamide?
The CAS number of 3,6-dichloro-N-(propan-2-yl)-1-benzothiophene-2-carboxamide is 314045-98-2.
What is the molecular formula of 3,6-dichloro-N-(propan-2-yl)-1-benzothiophene-2-carboxamide?
The molecular formula of 3,6-dichloro-N-(propan-2-yl)-1-benzothiophene-2-carboxamide is C12H11Cl2NOS.
What is the molecular weight of 3,6-dichloro-N-(propan-2-yl)-1-benzothiophene-2-carboxamide?
The molecular weight of 3,6-dichloro-N-(propan-2-yl)-1-benzothiophene-2-carboxamide is 286.99 g/mol.
Where can I buy 3,6-dichloro-N-(propan-2-yl)-1-benzothiophene-2-carboxamide?
You can request a quote for 3,6-dichloro-N-(propan-2-yl)-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 3,6-dichloro-N-(propan-2-yl)-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3,6-dichloro-N-(propan-2-yl)-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.