ChemDiv3_001530
TL;DR: ChemDiv3_001530 (CAS 302552-11-0) is a chemical compound with molecular formula C17H19NO6S2 and molecular weight 397.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid
Also Known As: ChemDiv3_001530, IDI1_020496, AB00100147-01, 2-[(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid, BRD-A72670282-001-01-7
| Molecular Formula | C17H19NO6S2 |
|---|---|
| Molecular Weight | 397.07 g/mol |
| LogP | 2.7198 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.06537 |
| Heavy Atoms | 26 |
| Complexity | 764.45294 |
Chemical Identifiers
| CAS Number | 302552-11-0 |
|---|---|
| SMILES | CC(C)C(C(=O)O)N1C(=O)/C(=C/C2=CC(=C(C(=C2)OC)O)OC)/SC1=S |
Product Overview
ChemDiv3_001530 (CAS 302552-11-0), with molecular formula C17H19NO6S2 and molecular weight 397.07 g/mol. IUPAC: 2-[(5Z)-5-[(4-hydroxy-3,5-dimethoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-3-methylbutanoic acid.
Chemical Property Profile of ChemDiv3_001530
Property Insights of ChemDiv3_001530
The XLogP value of 2.7198 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_001530. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_001530. Following Lipinski's Rule of Five, ChemDiv3_001530 has 2 hydrogen bond donor(s) and 7 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_001530?
The CAS number of ChemDiv3_001530 is 302552-11-0.
What is the molecular formula of ChemDiv3_001530?
The molecular formula of ChemDiv3_001530 is C17H19NO6S2.
What is the molecular weight of ChemDiv3_001530?
The molecular weight of ChemDiv3_001530 is 397.07 g/mol.
Where can I buy ChemDiv3_001530?
You can request a quote for ChemDiv3_001530 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001530?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001530 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.