3-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-methylbenzyl)-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-methylbenzyl)-1-benzothiophene-2-carboxamide (CAS 720669-57-8) is a chemical compound with molecular formula C21H20ClNO3S2 and molecular weight 433.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-methylbenzyl)-1-benzothiophene-2-carboxamide, 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide, 3-chloro-N-(1,1-dioxidotetrahydrothiophen-3-yl)-N-(4-methylbenzyl)-1-benzothiophene-2-carboxamide
| Molecular Formula | C21H20ClNO3S2 |
|---|---|
| Molecular Weight | 433.06 g/mol |
| LogP | 4.69262 |
| Topological Polar Surface Area | 54.45 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 433.0573 |
| Heavy Atoms | 28 |
| Complexity | 1136.172 |
Chemical Identifiers
| CAS Number | 720669-57-8 |
|---|---|
| SMILES | CC1=CC=C(C=C1)CN(C2CCS(=O)(=O)C2)C(=O)C3=C(C4=CC=CC=C4S3)Cl |
Product Overview
3-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-methylbenzyl)-1-benzothiophene-2-carboxamide (CAS 720669-57-8), with molecular formula C21H20ClNO3S2 and molecular weight 433.06 g/mol. IUPAC: 3-chloro-N-(1,1-dioxothiolan-3-yl)-N-[(4-methylphenyl)methyl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-methylbenzyl)-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-methylbenzyl)-1-benzothiophene-2-carboxamide
The XLogP value of 4.69262 indicates that 3-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-methylbenzyl)-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 54.45 Ų, 3-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-methylbenzyl)-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-methylbenzyl)-1-benzothiophene-2-carboxamide has 0 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 3-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-methylbenzyl)-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-methylbenzyl)-1-benzothiophene-2-carboxamide is 720669-57-8.
What is the molecular formula of 3-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-methylbenzyl)-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-methylbenzyl)-1-benzothiophene-2-carboxamide is C21H20ClNO3S2.
What is the molecular weight of 3-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-methylbenzyl)-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-methylbenzyl)-1-benzothiophene-2-carboxamide is 433.06 g/mol.
Where can I buy 3-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-methylbenzyl)-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-methylbenzyl)-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-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-methylbenzyl)-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(1,1-dioxidotetrahydro-3-thienyl)-N-(4-methylbenzyl)-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.