AB00673716-01
TL;DR: AB00673716-01 (CAS 799777-13-2) is a chemical compound with molecular formula C23H19N3O5S and molecular weight 449.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 5-[[(E)-2-cyano-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzene-1,3-dicarboxylate
Also Known As: AB00673716-01, F1291-0215, 1,3-dimethyl 5-{[(1E)-2-cyano-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]eth-1-en-1-yl]amino}benzene-1,3-dicarboxylate, (E)-dimethyl 5-((2-cyano-2-(4-(4-methoxyphenyl)thiazol-2-yl)vinyl)amino)isophthalate, dimethyl 5-[[(E)-2-cyano-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzene-1,3-dicarboxylate
| Molecular Formula | C23H19N3O5S |
|---|---|
| Molecular Weight | 449.10 g/mol |
| LogP | 4.36848 |
| Topological Polar Surface Area | 110.54 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.10455 |
| Heavy Atoms | 32 |
| Complexity | 1174.865 |
Chemical Identifiers
| CAS Number | 799777-13-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2=CSC(=N2)/C(=C/NC3=CC(=CC(=C3)C(=O)OC)C(=O)OC)/C#N |
Product Overview
AB00673716-01 (CAS 799777-13-2), with molecular formula C23H19N3O5S and molecular weight 449.10 g/mol. IUPAC: dimethyl 5-[[(E)-2-cyano-2-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]ethenyl]amino]benzene-1,3-dicarboxylate.
Chemical Property Profile of AB00673716-01
Property Insights of AB00673716-01
The XLogP value of 4.36848 indicates that AB00673716-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.54 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00673716-01. Following Lipinski's Rule of Five, AB00673716-01 has 1 hydrogen bond donor(s) and 9 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 AB00673716-01?
The CAS number of AB00673716-01 is 799777-13-2.
What is the molecular formula of AB00673716-01?
The molecular formula of AB00673716-01 is C23H19N3O5S.
What is the molecular weight of AB00673716-01?
The molecular weight of AB00673716-01 is 449.10 g/mol.
Where can I buy AB00673716-01?
You can request a quote for AB00673716-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00673716-01?
Yes, KEHONG BIO provides custom synthesis services for AB00673716-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.