AO-799/40842537
TL;DR: AO-799/40842537 (CAS 499142-34-6) is a chemical compound with molecular formula C21H17ClN4O3S and molecular weight 440.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[16-(4-chlorophenyl)-6-oxo-8-thia-3,4,5,10-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,9,11(15)-pentaen-5-yl]acetate
Also Known As: AO-799/40842537, ethyl [10-(4-chlorophenyl)-4-oxo-4,7,8,9-tetrahydro-3H-cyclopenta[5',6']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3-yl]acetate, Ethyl 2-(10-(4-chlorophenyl)-4-oxo-4,7,8,9-tetrahydro-3H-cyclopenta[5',6']pyrido[3',2':4,5]thieno[3,2-d][1,2,3]triazin-3-yl)acetate, ethyl 2-[16-(4-chlorophenyl)-6-oxo-8-thia-3,4,5,10-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,9,11(15)-pentaen-5-yl]acetate, REGID_for_CID_990669
| Molecular Formula | C21H17ClN4O3S |
|---|---|
| Molecular Weight | 440.07 g/mol |
| LogP | 3.7734 |
| Topological Polar Surface Area | 86.97 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 4 |
| Exact Mass | 440.07098 |
| Heavy Atoms | 30 |
| Complexity | 1361.1876 |
Chemical Identifiers
| CAS Number | 499142-34-6 |
|---|---|
| SMILES | CCOC(=O)CN1C(=O)C2=C(C3=C(C4=C(CCC4)N=C3S2)C5=CC=C(C=C5)Cl)N=N1 |
Product Overview
AO-799/40842537 (CAS 499142-34-6), with molecular formula C21H17ClN4O3S and molecular weight 440.07 g/mol. IUPAC: ethyl 2-[16-(4-chlorophenyl)-6-oxo-8-thia-3,4,5,10-tetrazatetracyclo[7.7.0.02,7.011,15]hexadeca-1(16),2(7),3,9,11(15)-pentaen-5-yl]acetate.
Chemical Property Profile of AO-799/40842537
Property Insights of AO-799/40842537
The XLogP value of 3.7734 indicates that AO-799/40842537 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.97 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-799/40842537. Following Lipinski's Rule of Five, AO-799/40842537 has 0 hydrogen bond donor(s) and 7 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 AO-799/40842537?
The CAS number of AO-799/40842537 is 499142-34-6.
What is the molecular formula of AO-799/40842537?
The molecular formula of AO-799/40842537 is C21H17ClN4O3S.
What is the molecular weight of AO-799/40842537?
The molecular weight of AO-799/40842537 is 440.07 g/mol.
Where can I buy AO-799/40842537?
You can request a quote for AO-799/40842537 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-799/40842537?
Yes, KEHONG BIO provides custom synthesis services for AO-799/40842537 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.