AN-698/40705074
TL;DR: AN-698/40705074 (CAS 429641-37-2) is a chemical compound with molecular formula C16H15NO4S and molecular weight 317.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione
Also Known As: AN-698/40705074, (5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione, 3-ethyl-5-[3-methoxy-4-(2-propynyloxy)benzylidene]-1,3-thiazolidine-2,4-dione, (5Z)-3-ethyl-5-[3-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione, 3-ethyl-5-[3-methoxy-4-(2-propyn-1-yloxy)benzylidene]-1,3-thiazolidine-2,4-dione
| Molecular Formula | C16H15NO4S |
|---|---|
| Molecular Weight | 317.07 g/mol |
| LogP | 2.7634 |
| Topological Polar Surface Area | 55.84 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 317.07217 |
| Heavy Atoms | 22 |
| Complexity | 675.2136 |
Chemical Identifiers
| CAS Number | 429641-37-2 |
|---|---|
| SMILES | CCN1C(=O)/C(=C/C2=CC(=C(C=C2)OCC#C)OC)/SC1=O |
Product Overview
AN-698/40705074 (CAS 429641-37-2), with molecular formula C16H15NO4S and molecular weight 317.07 g/mol. IUPAC: (5Z)-3-ethyl-5-[(3-methoxy-4-prop-2-ynoxyphenyl)methylidene]-1,3-thiazolidine-2,4-dione.
Chemical Property Profile of AN-698/40705074
Property Insights of AN-698/40705074
The XLogP value of 2.7634 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AN-698/40705074. With a topological polar surface area (TPSA) of 55.84 Ų, AN-698/40705074 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, AN-698/40705074 has 0 hydrogen bond donor(s) and 5 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 AN-698/40705074?
The CAS number of AN-698/40705074 is 429641-37-2.
What is the molecular formula of AN-698/40705074?
The molecular formula of AN-698/40705074 is C16H15NO4S.
What is the molecular weight of AN-698/40705074?
The molecular weight of AN-698/40705074 is 317.07 g/mol.
Where can I buy AN-698/40705074?
You can request a quote for AN-698/40705074 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40705074?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40705074 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.