AF-399/41114946
TL;DR: AF-399/41114946 (CAS 378774-36-8) is a chemical compound with molecular formula C23H19ClN2O4S and molecular weight 454.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2Z)-2-[(3-chlorophenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
Also Known As: AF-399/41114946, methyl 2-(3-chlorobenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl (2Z)-2-[(3-chlorophenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate, (Z)-methyl 2-(3-chlorobenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-3,5-dihydro-2H-thiazolo[3,2-a]pyrimidine-6-carboxylate, methyl (2Z)-2-(3-chlorobenzylidene)-5-(4-methoxyphenyl)-7-methyl-3-oxo-2,3-dihydro-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate
| Molecular Formula | C23H19ClN2O4S |
|---|---|
| Molecular Weight | 454.08 g/mol |
| LogP | 3.0702 |
| Topological Polar Surface Area | 69.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 454.0754 |
| Heavy Atoms | 31 |
| Complexity | 1369.7933 |
Chemical Identifiers
| CAS Number | 378774-36-8 |
|---|---|
| SMILES | CC1=C(C(N2C(=O)/C(=C/C3=CC(=CC=C3)Cl)/SC2=N1)C4=CC=C(C=C4)OC)C(=O)OC |
Product Overview
AF-399/41114946 (CAS 378774-36-8), with molecular formula C23H19ClN2O4S and molecular weight 454.08 g/mol. IUPAC: methyl (2Z)-2-[(3-chlorophenyl)methylidene]-5-(4-methoxyphenyl)-7-methyl-3-oxo-5H-[1,3]thiazolo[3,2-a]pyrimidine-6-carboxylate.
Chemical Property Profile of AF-399/41114946
Property Insights of AF-399/41114946
The XLogP value of 3.0702 indicates that AF-399/41114946 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.89 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/41114946. Following Lipinski's Rule of Five, AF-399/41114946 has 0 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-399/41114946?
The CAS number of AF-399/41114946 is 378774-36-8.
What is the molecular formula of AF-399/41114946?
The molecular formula of AF-399/41114946 is C23H19ClN2O4S.
What is the molecular weight of AF-399/41114946?
The molecular weight of AF-399/41114946 is 454.08 g/mol.
Where can I buy AF-399/41114946?
You can request a quote for AF-399/41114946 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/41114946?
Yes, KEHONG BIO provides custom synthesis services for AF-399/41114946 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.