![5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide structure](/static/products/4947/494747-64-7.webp)
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide
TL;DR: 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide (CAS 494747-64-7) is a chemical compound with molecular formula C26H31ClN4O2S and molecular weight 498.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide
Also Known As: 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide, 5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide, 5-[(4-chloro-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thien-2-yl)-2-furamide, 5-[(4-CHLORO-3,5-DIMETHYL-1H-PYRAZOL-1-YL)METHYL]-N-(3-CYANO-4,5,6,7,8,9,10,11,12,13-DECAHYDROCYCLODODECA[B]THIOPHEN-2-YL)-2-FURAMIDE
| Molecular Formula | C26H31ClN4O2S |
|---|---|
| Molecular Weight | 498.19 g/mol |
| LogP | 7.19952 |
| Topological Polar Surface Area | 83.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 498.18564 |
| Heavy Atoms | 34 |
| Complexity | 1200.4504 |
Chemical Identifiers
| CAS Number | 494747-64-7 |
|---|---|
| SMILES | CC1=C(C(=NN1CC2=CC=C(O2)C(=O)NC3=C(C4=C(S3)CCCCCCCCCC4)C#N)C)Cl |
Product Overview
5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide (CAS 494747-64-7), with molecular formula C26H31ClN4O2S and molecular weight 498.19 g/mol. IUPAC: 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide.
Chemical Property Profile of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide
Property Insights of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide
The XLogP value of 7.19952 indicates that 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.85 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide. Following Lipinski's Rule of Five, 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide?
The CAS number of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide is 494747-64-7.
What is the molecular formula of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide?
The molecular formula of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide is C26H31ClN4O2S.
What is the molecular weight of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide?
The molecular weight of 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide is 498.19 g/mol.
Where can I buy 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide?
You can request a quote for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 5-[(4-chloro-3,5-dimethylpyrazol-1-yl)methyl]-N-(3-cyano-4,5,6,7,8,9,10,11,12,13-decahydrocyclododeca[b]thiophen-2-yl)furan-2-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.