![2-[(3-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide structure](/static/products/4384/438466-59-2.webp)
2-[(3-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
TL;DR: 2-[(3-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (CAS 438466-59-2) is a chemical compound with molecular formula C19H21N3O4S and molecular weight 387.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(3-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Also Known As: 2-[(3-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide, 2-({4-nitro-3-methylbenzoyl}amino)-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide, 2-[(3-methyl-4-nitrophenyl)carbonylamino]-4,5,6,7,8,9-hexahydrocycloocta[2,1-b ]thiophene-3-carboxamide, 2-{[(3-methyl-4-nitrophenyl)carbonyl]amino}-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
| Molecular Formula | C19H21N3O4S |
|---|---|
| Molecular Weight | 387.13 g/mol |
| LogP | 3.97492 |
| Topological Polar Surface Area | 115.33 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.12527 |
| Heavy Atoms | 27 |
| Complexity | 919.9188 |
Chemical Identifiers
| CAS Number | 438466-59-2 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)C(=O)NC2=C(C3=C(S2)CCCCCC3)C(=O)N)[N+](=O)[O-] |
Product Overview
2-[(3-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide (CAS 438466-59-2), with molecular formula C19H21N3O4S and molecular weight 387.13 g/mol. IUPAC: 2-[(3-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide.
Chemical Property Profile of 2-[(3-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
Property Insights of 2-[(3-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide
The XLogP value of 3.97492 indicates that 2-[(3-methyl-4-nitrobenzoyl)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 115.33 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[(3-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide. Following Lipinski's Rule of Five, 2-[(3-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide has 2 hydrogen bond donor(s) and 5 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-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The CAS number of 2-[(3-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 438466-59-2.
What is the molecular formula of 2-[(3-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The molecular formula of 2-[(3-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is C19H21N3O4S.
What is the molecular weight of 2-[(3-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
The molecular weight of 2-[(3-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide is 387.13 g/mol.
Where can I buy 2-[(3-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
You can request a quote for 2-[(3-methyl-4-nitrobenzoyl)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-methyl-4-nitrobenzoyl)amino]-4,5,6,7,8,9-hexahydrocycloocta[b]thiophene-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for 2-[(3-methyl-4-nitrobenzoyl)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.