5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide
TL;DR: 5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide (CAS 445018-22-4) is a chemical compound with molecular formula C20H21ClN2O2S and molecular weight 388.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide
Also Known As: 5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide, 5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-methoxybenzamide, (5-chloro-2-methoxyphenyl)-N-(3-cyano-6-propyl(4,5,6,7-tetrahydrobenzo[b]thiop hen-2-yl))carboxamide
| Molecular Formula | C20H21ClN2O2S |
|---|---|
| Molecular Weight | 388.10 g/mol |
| LogP | 5.43908 |
| Topological Polar Surface Area | 62.12 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 388.10123 |
| Heavy Atoms | 26 |
| Complexity | 869.42664 |
Chemical Identifiers
| CAS Number | 445018-22-4 |
|---|---|
| SMILES | CCCC1CCC2=C(C1)SC(=C2C#N)NC(=O)C3=C(C=CC(=C3)Cl)OC |
Product Overview
5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide (CAS 445018-22-4), with molecular formula C20H21ClN2O2S and molecular weight 388.10 g/mol. IUPAC: 5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide.
Chemical Property Profile of 5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide
Property Insights of 5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide
The XLogP value of 5.43908 indicates that 5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.12 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide. Following Lipinski's Rule of Five, 5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide 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 5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide?
The CAS number of 5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide is 445018-22-4.
What is the molecular formula of 5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide?
The molecular formula of 5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide is C20H21ClN2O2S.
What is the molecular weight of 5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide?
The molecular weight of 5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide is 388.10 g/mol.
Where can I buy 5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide?
You can request a quote for 5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide?
Yes, KEHONG BIO provides custom synthesis services for 5-chloro-N-(3-cyano-6-propyl-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-methoxybenzamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.