ChemDiv3_000474
TL;DR: ChemDiv3_000474 (CAS 18623-44-4) is a chemical compound with molecular formula C16H17NO5S2 and molecular weight 367.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: ChemDiv3_000474, 4-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid, 4-[(5E)-5-(3,4-dimethoxybenzylidene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid, 4-[5-(3,4-Dimethoxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]butyric acid
| Molecular Formula | C16H17NO5S2 |
|---|---|
| Molecular Weight | 367.05 g/mol |
| LogP | 2.7698 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 367.0548 |
| Heavy Atoms | 24 |
| Complexity | 701.70825 |
Chemical Identifiers
| CAS Number | 18623-44-4 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)/C=C/2\C(=O)N(C(=S)S2)CCCC(=O)O)OC |
Product Overview
ChemDiv3_000474 (CAS 18623-44-4), with molecular formula C16H17NO5S2 and molecular weight 367.05 g/mol. IUPAC: 4-[(5E)-5-[(3,4-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of ChemDiv3_000474
Property Insights of ChemDiv3_000474
The XLogP value of 2.7698 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_000474. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_000474. Following Lipinski's Rule of Five, ChemDiv3_000474 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 ChemDiv3_000474?
The CAS number of ChemDiv3_000474 is 18623-44-4.
What is the molecular formula of ChemDiv3_000474?
The molecular formula of ChemDiv3_000474 is C16H17NO5S2.
What is the molecular weight of ChemDiv3_000474?
The molecular weight of ChemDiv3_000474 is 367.05 g/mol.
Where can I buy ChemDiv3_000474?
You can request a quote for ChemDiv3_000474 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_000474?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_000474 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.