![2-[(2-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide structure](/static/products/3545/354545-84-9.webp)
2-[(2-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
TL;DR: 2-[(2-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (CAS 354545-84-9) is a chemical compound with molecular formula C21H26N2O2S and molecular weight 370.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(2-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Also Known As: 2-[(2-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide, 2-(2-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide, 2-(2-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[2,1-b]thiophene-3-car boxamide
| Molecular Formula | C21H26N2O2S |
|---|---|
| Molecular Weight | 370.17 g/mol |
| LogP | 4.6383 |
| Topological Polar Surface Area | 72.19 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.1715 |
| Heavy Atoms | 26 |
| Complexity | 782.8088 |
Chemical Identifiers
| CAS Number | 354545-84-9 |
|---|---|
| SMILES | CCC(C1=CC=CC=C1)C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)N |
Product Overview
2-[(2-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (CAS 354545-84-9), with molecular formula C21H26N2O2S and molecular weight 370.17 g/mol. IUPAC: 2-(2-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide.
Chemical Property Profile of 2-[(2-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Property Insights of 2-[(2-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
The XLogP value of 4.6383 indicates that 2-[(2-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.19 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(2-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide. Following Lipinski's Rule of Five, 2-[(2-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide has 2 hydrogen bond donor(s) and 3 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 2-[(2-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The CAS number of 2-[(2-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 354545-84-9.
What is the molecular formula of 2-[(2-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The molecular formula of 2-[(2-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is C21H26N2O2S.
What is the molecular weight of 2-[(2-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The molecular weight of 2-[(2-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 370.17 g/mol.
Where can I buy 2-[(2-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
You can request a quote for 2-[(2-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[(2-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(2-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.