![N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide structure](/static/products/5886/588695-84-5.webp)
N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
TL;DR: N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (CAS 588695-84-5) is a chemical compound with molecular formula C30H36N2O3S and molecular weight 504.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Also Known As: N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide, N-benzyl-2-{[2-(3,4-dimethylphenoxy)butanoyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide, 2-(3,4-dimethylphenoxy)-N-{3-[N-benzylcarbamoyl](4,5,6,7,8,9-hexahydrocyclooct a[1,2-d]thiophen-2-yl)}butanamide
| Molecular Formula | C30H36N2O3S |
|---|---|
| Molecular Weight | 504.24 g/mol |
| LogP | 6.75004 |
| Topological Polar Surface Area | 67.43 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 504.24466 |
| Heavy Atoms | 36 |
| Complexity | 1202.4031 |
Chemical Identifiers
| CAS Number | 588695-84-5 |
|---|---|
| SMILES | CCC(C(=O)NC1=C(C2=C(S1)CCCCCC2)C(=O)NCC3=CC=CC=C3)OC4=CC(=C(C=C4)C)C |
Product Overview
N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (CAS 588695-84-5), with molecular formula C30H36N2O3S and molecular weight 504.24 g/mol. IUPAC: N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide.
Chemical Property Profile of N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Property Insights of N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
The XLogP value of 6.75004 indicates that N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-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 67.43 Ų falls within the moderate polarity range, balancing permeability and solubility for N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide. Following Lipinski's Rule of Five, N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide has 2 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 N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The CAS number of N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 588695-84-5.
What is the molecular formula of N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The molecular formula of N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is C30H36N2O3S.
What is the molecular weight of N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The molecular weight of N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 504.24 g/mol.
Where can I buy N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
You can request a quote for N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-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-[2-(3,4-dimethylphenoxy)butanoylamino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-[2-(3,4-dimethylphenoxy)butanoylamino]-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.