![2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide structure](/static/products/5147/514799-85-0.webp)
2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
TL;DR: 2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (CAS 514799-85-0) is a chemical compound with molecular formula C22H23BrN4O2S and molecular weight 486.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Also Known As: 2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide, 2-({3-[(4-bromo-1H-pyrazol-1-yl)methyl]benzoyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide, 2-[({3-[(4-bromo-1H-pyrazol-1-yl)methyl]phenyl}carbonyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide, 2-{3-[(4-BROMO-1H-PYRAZOL-1-YL)METHYL]BENZAMIDO}-4H,5H,6H,7H,8H,9H-CYCLOOCTA[B]THIOPHENE-3-CARBOXAMIDE
| Molecular Formula | C22H23BrN4O2S |
|---|---|
| Molecular Weight | 486.07 g/mol |
| LogP | 4.7656 |
| Topological Polar Surface Area | 90.01 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 486.0725 |
| Heavy Atoms | 30 |
| Complexity | 1088.7506 |
Chemical Identifiers
| CAS Number | 514799-85-0 |
|---|---|
| SMILES | C1CCCC2=C(CC1)C(=C(S2)NC(=O)C3=CC=CC(=C3)CN4C=C(C=N4)Br)C(=O)N |
Product Overview
2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (CAS 514799-85-0), with molecular formula C22H23BrN4O2S and molecular weight 486.07 g/mol. IUPAC: 2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide.
Chemical Property Profile of 2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Property Insights of 2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
The XLogP value of 4.7656 indicates that 2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]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 90.01 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide. Following Lipinski's Rule of Five, 2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide has 2 hydrogen bond donor(s) and 4 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-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The CAS number of 2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 514799-85-0.
What is the molecular formula of 2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The molecular formula of 2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is C22H23BrN4O2S.
What is the molecular weight of 2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The molecular weight of 2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 486.07 g/mol.
Where can I buy 2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
You can request a quote for 2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]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-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[[3-[(4-bromopyrazol-1-yl)methyl]benzoyl]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.