AF-399/40920983
TL;DR: AF-399/40920983 (CAS 442865-55-6) is a chemical compound with molecular formula C25H20N4O3S2 and molecular weight 488.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]-5-phenylthiophene-3-carboxylate
Also Known As: AF-399/40920983, F1174-3223, methyl 2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]-5-phenylthiophene-3-carboxylate, methyl 2-[2-({5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl}sulfanyl)acetamido]-5-phenylthiophene-3-carboxylate, methyl 2-(2-((5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)thio)acetamido)-5-phenylthiophene-3-carboxylate
| Molecular Formula | C25H20N4O3S2 |
|---|---|
| Molecular Weight | 488.10 g/mol |
| LogP | 5.43682 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.0977 |
| Heavy Atoms | 34 |
| Complexity | 1525.8071 |
Chemical Identifiers
| CAS Number | 442865-55-6 |
|---|---|
| SMILES | CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)NC4=C(C=C(S4)C5=CC=CC=C5)C(=O)OC |
Product Overview
AF-399/40920983 (CAS 442865-55-6), with molecular formula C25H20N4O3S2 and molecular weight 488.10 g/mol. IUPAC: methyl 2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]-5-phenylthiophene-3-carboxylate.
Chemical Property Profile of AF-399/40920983
Property Insights of AF-399/40920983
The XLogP value of 5.43682 indicates that AF-399/40920983 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.59 Ų falls within the moderate polarity range, balancing permeability and solubility for AF-399/40920983. Following Lipinski's Rule of Five, AF-399/40920983 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AF-399/40920983?
The CAS number of AF-399/40920983 is 442865-55-6.
What is the molecular formula of AF-399/40920983?
The molecular formula of AF-399/40920983 is C25H20N4O3S2.
What is the molecular weight of AF-399/40920983?
The molecular weight of AF-399/40920983 is 488.10 g/mol.
Where can I buy AF-399/40920983?
You can request a quote for AF-399/40920983 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40920983?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40920983 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.