![N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide structure](/static/products/5886/588695-91-4.webp)
N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
TL;DR: N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (CAS 588695-91-4) is a chemical compound with molecular formula C28H32N2O2S and molecular weight 460.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Also Known As: N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide, N-benzyl-10-(4-phenylbutanoylamino)-9-thiabicyclo[6.3.0]undeca-10,12-diene-11-carboxamide, 4-phenyl-N-{3-[N-benzylcarbamoyl](4,5,6,7,8,9-hexahydrocycloocta[1,2-d]thiophe n-2-yl)}butanamide, N-benzyl-2-[(4-phenylbutanoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
| Molecular Formula | C28H32N2O2S |
|---|---|
| Molecular Weight | 460.22 g/mol |
| LogP | 6.2985 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 8 |
| Exact Mass | 460.21844 |
| Heavy Atoms | 33 |
| Complexity | 1060.2612 |
Chemical Identifiers
| CAS Number | 588695-91-4 |
|---|---|
| SMILES | C1CCCC2=C(CC1)C(=C(S2)NC(=O)CCCC3=CC=CC=C3)C(=O)NCC4=CC=CC=C4 |
Product Overview
N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (CAS 588695-91-4), with molecular formula C28H32N2O2S and molecular weight 460.22 g/mol. IUPAC: N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide.
Chemical Property Profile of N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Property Insights of N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
The XLogP value of 6.2985 indicates that N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.2 Ų, N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The CAS number of N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 588695-91-4.
What is the molecular formula of N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The molecular formula of N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is C28H32N2O2S.
What is the molecular weight of N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The molecular weight of N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 460.22 g/mol.
Where can I buy N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
You can request a quote for N-benzyl-2-(4-phenylbutanoylamino)-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 N-benzyl-2-(4-phenylbutanoylamino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-(4-phenylbutanoylamino)-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.