AF-399/41981232
TL;DR: AF-399/41981232 (CAS 618403-30-8) is a chemical compound with molecular formula C21H25NO6 and molecular weight 387.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]benzene-1,3-dicarboxylate
Also Known As: AF-399/41981232, dimethyl 5-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}benzene-1,3-dicarboxylate, dimethyl 5-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]benzene-1,3-dicarboxylate, dimethyl 5-((1S,4S)-4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carboxamido)isophthalate, dimethyl 5-{[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]hept-1-yl)carbonyl]amino}isophthalate
| Molecular Formula | C21H25NO6 |
|---|---|
| Molecular Weight | 387.17 g/mol |
| LogP | 2.9838 |
| Topological Polar Surface Area | 98.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.16818 |
| Heavy Atoms | 28 |
| Complexity | 854.632 |
Chemical Identifiers
| CAS Number | 618403-30-8 |
|---|---|
| SMILES | CC1(C2(CCC1(CC2=O)C(=O)NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)C)C |
Product Overview
AF-399/41981232 (CAS 618403-30-8), with molecular formula C21H25NO6 and molecular weight 387.17 g/mol. IUPAC: dimethyl 5-[(4,7,7-trimethyl-3-oxobicyclo[2.2.1]heptane-1-carbonyl)amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of AF-399/41981232
Property Insights of AF-399/41981232
The XLogP value of 2.9838 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/41981232. The TPSA of 98.77 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41981232. Following Lipinski's Rule of Five, AF-399/41981232 has 1 hydrogen bond donor(s) and 6 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-399/41981232?
The CAS number of AF-399/41981232 is 618403-30-8.
What is the molecular formula of AF-399/41981232?
The molecular formula of AF-399/41981232 is C21H25NO6.
What is the molecular weight of AF-399/41981232?
The molecular weight of AF-399/41981232 is 387.17 g/mol.
Where can I buy AF-399/41981232?
You can request a quote for AF-399/41981232 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41981232?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41981232 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.