AO-799/40842460
TL;DR: AO-799/40842460 (CAS 141693-61-0) is a chemical compound with molecular formula C20H16ClN3S2 and molecular weight 397.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9-(4-chlorophenyl)-15-methylsulfanyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12,14-hexaene
Also Known As: AO-799/40842460, 11-(4-chlorophenyl)-7,8,9,10-tetrahydropyrimido[4',5':4,5]thieno[2,3-b]quinolin-4-yl methyl sulfide, 9-(4-chlorophenyl)-15-methylsulfanyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12,14-hexaene
| Molecular Formula | C20H16ClN3S2 |
|---|---|
| Molecular Weight | 397.05 g/mol |
| LogP | 6.1606 |
| Topological Polar Surface Area | 38.67 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 397.04742 |
| Heavy Atoms | 26 |
| Complexity | 1135.672 |
Chemical Identifiers
| CAS Number | 141693-61-0 |
|---|---|
| SMILES | CSC1=NC=NC2=C1SC3=NC4=C(CCCC4)C(=C23)C5=CC=C(C=C5)Cl |
Product Overview
AO-799/40842460 (CAS 141693-61-0), with molecular formula C20H16ClN3S2 and molecular weight 397.05 g/mol. IUPAC: 9-(4-chlorophenyl)-15-methylsulfanyl-17-thia-2,12,14-triazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3(8),9,11(16),12,14-hexaene.
Chemical Property Profile of AO-799/40842460
Property Insights of AO-799/40842460
The XLogP value of 6.1606 indicates that AO-799/40842460 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.67 Ų, AO-799/40842460 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AO-799/40842460 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-799/40842460?
The CAS number of AO-799/40842460 is 141693-61-0.
What is the molecular formula of AO-799/40842460?
The molecular formula of AO-799/40842460 is C20H16ClN3S2.
What is the molecular weight of AO-799/40842460?
The molecular weight of AO-799/40842460 is 397.05 g/mol.
Where can I buy AO-799/40842460?
You can request a quote for AO-799/40842460 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-799/40842460?
Yes, KEHONG BIO provides custom synthesis services for AO-799/40842460 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.