AF-399/40851320
TL;DR: AF-399/40851320 (CAS 379236-69-8) is a chemical compound with molecular formula C24H24N4O3S2 and molecular weight 480.13 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]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
Also Known As: AF-399/40851320, F1441-0152, methyl 2-({[(5-methyl[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl}amino)-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate, METHYL 2-[2-({5-METHYL-[1,2,4]TRIAZOLO[4,3-A]QUINOLIN-1-YL}SULFANYL)ACETAMIDO]-4H,5H,6H,7H,8H-CYCLOHEPTA[B]THIOPHENE-3-CARBOXYLATE, methyl 2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate
| Molecular Formula | C24H24N4O3S2 |
|---|---|
| Molecular Weight | 480.13 g/mol |
| LogP | 5.03872 |
| Topological Polar Surface Area | 85.59 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 480.129 |
| Heavy Atoms | 33 |
| Complexity | 1375.3054 |
Chemical Identifiers
| CAS Number | 379236-69-8 |
|---|---|
| SMILES | CC1=CC2=NN=C(N2C3=CC=CC=C13)SCC(=O)NC4=C(C5=C(S4)CCCCC5)C(=O)OC |
Product Overview
AF-399/40851320 (CAS 379236-69-8), with molecular formula C24H24N4O3S2 and molecular weight 480.13 g/mol. IUPAC: methyl 2-[[2-[(5-methyl-[1,2,4]triazolo[4,3-a]quinolin-1-yl)sulfanyl]acetyl]amino]-5,6,7,8-tetrahydro-4H-cyclohepta[b]thiophene-3-carboxylate.
Chemical Property Profile of AF-399/40851320
Property Insights of AF-399/40851320
The XLogP value of 5.03872 indicates that AF-399/40851320 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-399/40851320. Following Lipinski's Rule of Five, AF-399/40851320 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-399/40851320?
The CAS number of AF-399/40851320 is 379236-69-8.
What is the molecular formula of AF-399/40851320?
The molecular formula of AF-399/40851320 is C24H24N4O3S2.
What is the molecular weight of AF-399/40851320?
The molecular weight of AF-399/40851320 is 480.13 g/mol.
Where can I buy AF-399/40851320?
You can request a quote for AF-399/40851320 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AF-399/40851320?
Yes, KEHONG BIO provides custom synthesis services for AF-399/40851320 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.