AN-698/40780865
TL;DR: AN-698/40780865 (CAS 496767-46-5) is a chemical compound with molecular formula C23H21ClN2O4S and molecular weight 456.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5Z)-5-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one
Also Known As: AN-698/40780865, (2Z,5Z)-5-[3-chloro-5-methoxy-4-(prop-2-yn-1-yloxy)benzylidene]-3-(2-methoxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one, (2Z,5Z)-5-(3-chloro-5-methoxy-4-(prop-2-yn-1-yloxy)benzylidene)-3-(2-methoxyethyl)-2-(phenylimino)thiazolidin-4-one, (5Z)-5-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one, 5-[3-chloro-5-methoxy-4-(2-propynyloxy)benzylidene]-3-(2-methoxyethyl)-2-(phenylimino)-1,3-thiazolidin-4-one
| Molecular Formula | C23H21ClN2O4S |
|---|---|
| Molecular Weight | 456.09 g/mol |
| LogP | 4.611 |
| Topological Polar Surface Area | 60.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 456.09106 |
| Heavy Atoms | 31 |
| Complexity | 1047.5322 |
Chemical Identifiers
| CAS Number | 496767-46-5 |
|---|---|
| SMILES | COCCN1C(=O)/C(=C/C2=CC(=C(C(=C2)Cl)OCC#C)OC)/SC1=NC3=CC=CC=C3 |
Product Overview
AN-698/40780865 (CAS 496767-46-5), with molecular formula C23H21ClN2O4S and molecular weight 456.09 g/mol. IUPAC: (5Z)-5-[(3-chloro-5-methoxy-4-prop-2-ynoxyphenyl)methylidene]-3-(2-methoxyethyl)-2-phenylimino-1,3-thiazolidin-4-one.
Chemical Property Profile of AN-698/40780865
Property Insights of AN-698/40780865
The XLogP value of 4.611 indicates that AN-698/40780865 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.36 Ų falls within the moderate polarity range, balancing permeability and solubility for AN-698/40780865. Following Lipinski's Rule of Five, AN-698/40780865 has 0 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 AN-698/40780865?
The CAS number of AN-698/40780865 is 496767-46-5.
What is the molecular formula of AN-698/40780865?
The molecular formula of AN-698/40780865 is C23H21ClN2O4S.
What is the molecular weight of AN-698/40780865?
The molecular weight of AN-698/40780865 is 456.09 g/mol.
Where can I buy AN-698/40780865?
You can request a quote for AN-698/40780865 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AN-698/40780865?
Yes, KEHONG BIO provides custom synthesis services for AN-698/40780865 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.