AB00686116-01
TL;DR: AB00686116-01 (CAS 844862-03-9) is a chemical compound with molecular formula C22H14N2O3S2 and molecular weight 418.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[5-[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]furan-2-yl]benzoate
Also Known As: AB00686116-01, (E)-methyl 2-(5-(2-cyano-2-(4-(thiophen-2-yl)thiazol-2-yl)vinyl)furan-2-yl)benzoate, F1529-0187, METHYL 2-{5-[(1E)-2-CYANO-2-[4-(THIOPHEN-2-YL)-1,3-THIAZOL-2-YL]ETH-1-EN-1-YL]FURAN-2-YL}BENZOATE, methyl 2-[5-[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]furan-2-yl]benzoate
| Molecular Formula | C22H14N2O3S2 |
|---|---|
| Molecular Weight | 418.04 g/mol |
| LogP | 5.98238 |
| Topological Polar Surface Area | 76.12 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.0446 |
| Heavy Atoms | 29 |
| Complexity | 1226.9835 |
Chemical Identifiers
| CAS Number | 844862-03-9 |
|---|---|
| SMILES | COC(=O)C1=CC=CC=C1C2=CC=C(O2)/C=C(\C#N)/C3=NC(=CS3)C4=CC=CS4 |
Product Overview
AB00686116-01 (CAS 844862-03-9), with molecular formula C22H14N2O3S2 and molecular weight 418.04 g/mol. IUPAC: methyl 2-[5-[(E)-2-cyano-2-(4-thiophen-2-yl-1,3-thiazol-2-yl)ethenyl]furan-2-yl]benzoate.
Chemical Property Profile of AB00686116-01
Property Insights of AB00686116-01
The XLogP value of 5.98238 indicates that AB00686116-01 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.12 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00686116-01. Following Lipinski's Rule of Five, AB00686116-01 has 0 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 AB00686116-01?
The CAS number of AB00686116-01 is 844862-03-9.
What is the molecular formula of AB00686116-01?
The molecular formula of AB00686116-01 is C22H14N2O3S2.
What is the molecular weight of AB00686116-01?
The molecular weight of AB00686116-01 is 418.04 g/mol.
Where can I buy AB00686116-01?
You can request a quote for AB00686116-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00686116-01?
Yes, KEHONG BIO provides custom synthesis services for AB00686116-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.