AO-799/42007953
TL;DR: AO-799/42007953 (CAS 579443-26-8) is a chemical compound with molecular formula C24H20ClN3O3S and molecular weight 465.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3-amino-4-(4-chlorophenyl)-6-methyl-2-(phenylcarbamoyl)thieno[2,3-b]pyridine-5-carboxylate
Also Known As: AO-799/42007953, ethyl 3-amino-4-(4-chlorophenyl)-6-methyl-2-(phenylcarbamoyl)thieno[2,3-b]pyridine-5-carboxylate, ethyl 3-amino-2-(anilinocarbonyl)-4-(4-chlorophenyl)-6-methylthieno[2,3-b]pyridine-5-carboxylate
| Molecular Formula | C24H20ClN3O3S |
|---|---|
| Molecular Weight | 465.09 g/mol |
| LogP | 5.93632 |
| Topological Polar Surface Area | 94.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 465.0914 |
| Heavy Atoms | 32 |
| Complexity | 1318.3296 |
Chemical Identifiers
| CAS Number | 579443-26-8 |
|---|---|
| SMILES | CCOC(=O)C1=C(N=C2C(=C1C3=CC=C(C=C3)Cl)C(=C(S2)C(=O)NC4=CC=CC=C4)N)C |
Product Overview
AO-799/42007953 (CAS 579443-26-8), with molecular formula C24H20ClN3O3S and molecular weight 465.09 g/mol. IUPAC: ethyl 3-amino-4-(4-chlorophenyl)-6-methyl-2-(phenylcarbamoyl)thieno[2,3-b]pyridine-5-carboxylate.
Chemical Property Profile of AO-799/42007953
Property Insights of AO-799/42007953
The XLogP value of 5.93632 indicates that AO-799/42007953 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.31 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-799/42007953. Following Lipinski's Rule of Five, AO-799/42007953 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AO-799/42007953?
The CAS number of AO-799/42007953 is 579443-26-8.
What is the molecular formula of AO-799/42007953?
The molecular formula of AO-799/42007953 is C24H20ClN3O3S.
What is the molecular weight of AO-799/42007953?
The molecular weight of AO-799/42007953 is 465.09 g/mol.
Where can I buy AO-799/42007953?
You can request a quote for AO-799/42007953 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-799/42007953?
Yes, KEHONG BIO provides custom synthesis services for AO-799/42007953 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.