AB00118620-01
TL;DR: AB00118620-01 (CAS 431940-44-2) is a chemical compound with molecular formula C16H17NO6S and molecular weight 351.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-ethoxy-4-[(Z)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]propanoic acid
Also Known As: AB00118620-01, 2-{2-ethoxy-4-[(Z)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy}propanoic acid, (Z)-2-(2-ethoxy-4-((3-methyl-2,4-dioxothiazolidin-5-ylidene)methyl)phenoxy)propanoic acid, 2-[2-ethoxy-4-[(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]propanoic Acid, 2-[2-ethoxy-4-[(Z)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]propanoic acid
| Molecular Formula | C16H17NO6S |
|---|---|
| Molecular Weight | 351.08 g/mol |
| LogP | 2.6033 |
| Topological Polar Surface Area | 93.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 351.07767 |
| Heavy Atoms | 24 |
| Complexity | 714.5192 |
Chemical Identifiers
| CAS Number | 431940-44-2 |
|---|---|
| SMILES | CCOC1=C(C=CC(=C1)/C=C\2/C(=O)N(C(=O)S2)C)OC(C)C(=O)O |
Product Overview
AB00118620-01 (CAS 431940-44-2), with molecular formula C16H17NO6S and molecular weight 351.08 g/mol. IUPAC: 2-[2-ethoxy-4-[(Z)-(3-methyl-2,4-dioxo-1,3-thiazolidin-5-ylidene)methyl]phenoxy]propanoic acid.
Chemical Property Profile of AB00118620-01
Property Insights of AB00118620-01
The XLogP value of 2.6033 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00118620-01. The TPSA of 93.14 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00118620-01. Following Lipinski's Rule of Five, AB00118620-01 has 1 hydrogen bond donor(s) and 6 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 AB00118620-01?
The CAS number of AB00118620-01 is 431940-44-2.
What is the molecular formula of AB00118620-01?
The molecular formula of AB00118620-01 is C16H17NO6S.
What is the molecular weight of AB00118620-01?
The molecular weight of AB00118620-01 is 351.08 g/mol.
Where can I buy AB00118620-01?
You can request a quote for AB00118620-01 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00118620-01?
Yes, KEHONG BIO provides custom synthesis services for AB00118620-01 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.