![3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-benzothiophene-2-carboxamide structure](/static/products/4450/445016-50-2.webp)
3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-benzothiophene-2-carboxamide
TL;DR: 3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-benzothiophene-2-carboxamide (CAS 445016-50-2) is a chemical compound with molecular formula C24H25ClN2OS2 and molecular weight 456.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-benzothiophene-2-carboxamide
Also Known As: 3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-benzothiophene-2-carboxamide, (3-chlorobenzo[b]thiophen-2-yl)-N-(3-cyano(4,5,6,7,8,9,10,11,12,13-decahydrocy clododeca[2,1-d]thiophen-2-yl))carboxamide, 3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-1-benzothiophene-2-carboxamide
| Molecular Formula | C24H25ClN2OS2 |
|---|---|
| Molecular Weight | 456.11 g/mol |
| LogP | 7.95958 |
| Topological Polar Surface Area | 52.89 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 456.10968 |
| Heavy Atoms | 30 |
| Complexity | 1092.75 |
Chemical Identifiers
| CAS Number | 445016-50-2 |
|---|---|
| SMILES | C1CCCCCC2=C(CCCC1)C(=C(S2)NC(=O)C3=C(C4=CC=CC=C4S3)Cl)C#N |
Product Overview
3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-benzothiophene-2-carboxamide (CAS 445016-50-2), with molecular formula C24H25ClN2OS2 and molecular weight 456.11 g/mol. IUPAC: 3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-benzothiophene-2-carboxamide.
Chemical Property Profile of 3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-benzothiophene-2-carboxamide
Property Insights of 3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-benzothiophene-2-carboxamide
The XLogP value of 7.95958 indicates that 3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-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 52.89 Ų, 3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-benzothiophene-2-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-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 3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-benzothiophene-2-carboxamide?
The CAS number of 3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-benzothiophene-2-carboxamide is 445016-50-2.
What is the molecular formula of 3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-benzothiophene-2-carboxamide?
The molecular formula of 3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-benzothiophene-2-carboxamide is C24H25ClN2OS2.
What is the molecular weight of 3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-benzothiophene-2-carboxamide?
The molecular weight of 3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-benzothiophene-2-carboxamide is 456.11 g/mol.
Where can I buy 3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-benzothiophene-2-carboxamide?
You can request a quote for 3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-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-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-benzothiophene-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 3-chloro-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)-1-benzothiophene-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.