AF-399/40756985
TL;DR: AF-399/40756985 (CAS 97063-68-8) is a chemical compound with molecular formula C18H18ClN3O4 and molecular weight 375.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 5-(2-chlorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
Also Known As: AF-399/40756985, methyl 5-(2-chlorophenyl)-1,3,7-trimethyl-2,4-dioxo-1,2,3,4,5,8-hexahydropyrido[2,3-d]pyrimidine-6-carboxylate, methyl 5-(2-chlorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate
| Molecular Formula | C18H18ClN3O4 |
|---|---|
| Molecular Weight | 375.10 g/mol |
| LogP | 1.7418 |
| Topological Polar Surface Area | 82.33 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 375.09857 |
| Heavy Atoms | 26 |
| Complexity | 1065.0815 |
Chemical Identifiers
| CAS Number | 97063-68-8 |
|---|---|
| SMILES | CC1=C(C(C2=C(N1)N(C(=O)N(C2=O)C)C)C3=CC=CC=C3Cl)C(=O)OC |
Product Overview
AF-399/40756985 (CAS 97063-68-8), with molecular formula C18H18ClN3O4 and molecular weight 375.10 g/mol. IUPAC: methyl 5-(2-chlorophenyl)-1,3,7-trimethyl-2,4-dioxo-5,8-dihydropyrido[2,3-d]pyrimidine-6-carboxylate.
Chemical Property Profile of AF-399/40756985
Property Insights of AF-399/40756985
The XLogP value of 1.7418 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AF-399/40756985. The TPSA of 82.33 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40756985. Following Lipinski's Rule of Five, AF-399/40756985 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-399/40756985?
The CAS number of AF-399/40756985 is 97063-68-8.
What is the molecular formula of AF-399/40756985?
The molecular formula of AF-399/40756985 is C18H18ClN3O4.
What is the molecular weight of AF-399/40756985?
The molecular weight of AF-399/40756985 is 375.10 g/mol.
Where can I buy AF-399/40756985?
You can request a quote for AF-399/40756985 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40756985?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40756985 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.