![N-benzyl-2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide structure](/static/products/5886/588695-80-1.webp)
N-benzyl-2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
TL;DR: N-benzyl-2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (CAS 588695-80-1) is a chemical compound with molecular formula C30H36N2O2S2 and molecular weight 520.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-benzyl-2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Also Known As: N-benzyl-2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, N-benzyl-2-{[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophen-3-yl)carbonyl]amino}-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide, [6-(tert-butyl)(4,5,6,7-tetrahydrobenzo[b]thiophen-3-yl)]-N-{3-[N-benzylcarbam oyl](4,5,6,7,8-pentahydrocyclohepta[1,2-d]thiophen-2-yl)}carboxamide
| Molecular Formula | C30H36N2O2S2 |
|---|---|
| Molecular Weight | 520.22 g/mol |
| LogP | 7.4118 |
| Topological Polar Surface Area | 58.2 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 520.2218 |
| Heavy Atoms | 36 |
| Complexity | 1249.9678 |
Chemical Identifiers
| CAS Number | 588695-80-1 |
|---|---|
| SMILES | CC(C)(C)C1CCC2=C(C1)SC=C2C(=O)NC3=C(C4=C(S3)CCCCC4)C(=O)NCC5=CC=CC=C5 |
Product Overview
N-benzyl-2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide (CAS 588695-80-1), with molecular formula C30H36N2O2S2 and molecular weight 520.22 g/mol. IUPAC: N-benzyl-2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide.
Chemical Property Profile of N-benzyl-2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
Property Insights of N-benzyl-2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide
The XLogP value of 7.4118 indicates that N-benzyl-2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[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-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-benzyl-2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[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-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The CAS number of N-benzyl-2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is 588695-80-1.
What is the molecular formula of N-benzyl-2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The molecular formula of N-benzyl-2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is C30H36N2O2S2.
What is the molecular weight of N-benzyl-2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
The molecular weight of N-benzyl-2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide is 520.22 g/mol.
Where can I buy N-benzyl-2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
You can request a quote for N-benzyl-2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[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-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-benzyl-2-[(6-tert-butyl-4,5,6,7-tetrahydro-1-benzothiophene-3-carbonyl)amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.