![3-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzothiophene-2-carboxamide structure](/static/products/6205/620584-07-8.webp)
3-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzothiophene-2-carboxamide (CAS 620584-07-8) is a chemical compound with molecular formula C22H21ClN2O4S3 and molecular weight 508.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzothiophene-2-carboxamide, 3-chloro-N-(3-((1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl)-4,5,6,7-tetrahydrobenzo[b]thiophen-2-yl)benzo[b]thiophene-2-carboxamide, 3-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzothiophene-2-carboxamide
| Molecular Formula | C22H21ClN2O4S3 |
|---|---|
| Molecular Weight | 508.04 g/mol |
| LogP | 4.6642 |
| Topological Polar Surface Area | 92.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 508.0352 |
| Heavy Atoms | 32 |
| Complexity | 1342.6376 |
Chemical Identifiers
| CAS Number | 620584-07-8 |
|---|---|
| SMILES | C1CCC2=C(C1)C(=C(S2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C(=O)NC5CCS(=O)(=O)C5 |
Product Overview
3-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzothiophene-2-carboxamide (CAS 620584-07-8), with molecular formula C22H21ClN2O4S3 and molecular weight 508.04 g/mol. IUPAC: 3-chloro-N-[3-[(1,1-dioxothiolan-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl]-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzothiophene-2-carboxamide
The XLogP value of 4.6642 indicates that 3-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzothiophene-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 92.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzothiophene-2-carboxamide. Following Lipinski's Rule of Five, 3-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzothiophene-2-carboxamide has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzothiophene-2-carboxamide is 620584-07-8.
What is the molecular formula of 3-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzothiophene-2-carboxamide is C22H21ClN2O4S3.
What is the molecular weight of 3-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzothiophene-2-carboxamide is 508.04 g/mol.
Where can I buy 3-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-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-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-{3-[(1,1-dioxidotetrahydrothiophen-3-yl)carbamoyl]-4,5,6,7-tetrahydro-1-benzothiophen-2-yl}-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.