AF-399/40862671
TL;DR: AF-399/40862671 (CAS 1212432-58-0) is a chemical compound with molecular formula C22H29NO4S and molecular weight 403.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate
Also Known As: AF-399/40862671, ethyl 2-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-((1R,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamido)-4,5,6,7-tetrahydrobenzo[b]thiophene-3-carboxylate, ethyl 2-[(1,7,7-trimethyl-2-oxobicyclo[2.2.1]heptane-4-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate, ethyl 2-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptyl)carbonylamino]-4,5,6,7-tet rahydrobenzo[b]thiophene-3-carboxylate
| Molecular Formula | C22H29NO4S |
|---|---|
| Molecular Weight | 403.18 g/mol |
| LogP | 4.5276 |
| Topological Polar Surface Area | 72.47 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 403.18173 |
| Heavy Atoms | 28 |
| Complexity | 870.13293 |
Chemical Identifiers
| CAS Number | 1212432-58-0 |
|---|---|
| SMILES | CCOC(=O)C1=C(SC2=C1CCCC2)NC(=O)C34CCC(C3(C)C)(C(=O)C4)C |
Product Overview
AF-399/40862671 (CAS 1212432-58-0), with molecular formula C22H29NO4S and molecular weight 403.18 g/mol. IUPAC: ethyl 2-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]-4,5,6,7-tetrahydro-1-benzothiophene-3-carboxylate.
Chemical Property Profile of AF-399/40862671
Property Insights of AF-399/40862671
The XLogP value of 4.5276 indicates that AF-399/40862671 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.47 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40862671. Following Lipinski's Rule of Five, AF-399/40862671 has 1 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 AF-399/40862671?
The CAS number of AF-399/40862671 is 1212432-58-0.
What is the molecular formula of AF-399/40862671?
The molecular formula of AF-399/40862671 is C22H29NO4S.
What is the molecular weight of AF-399/40862671?
The molecular weight of AF-399/40862671 is 403.18 g/mol.
Where can I buy AF-399/40862671?
You can request a quote for AF-399/40862671 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40862671?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40862671 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.