CDS1_004172
TL;DR: CDS1_004172 (CAS 1322263-33-1) is a chemical compound with molecular formula C14H11NO5S2 and molecular weight 337.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: CDS1_004172, BAS 00664804, BIM-0023961.P001, AB00088481-01, 3-[5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C14H11NO5S2 |
|---|---|
| Molecular Weight | 337.01 g/mol |
| LogP | 2.0912 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 337.00787 |
| Heavy Atoms | 22 |
| Complexity | 700.47363 |
Chemical Identifiers
| CAS Number | 1322263-33-1 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CCC(=O)O |
Product Overview
CDS1_004172 (CAS 1322263-33-1), with molecular formula C14H11NO5S2 and molecular weight 337.01 g/mol. IUPAC: 3-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of CDS1_004172
Property Insights of CDS1_004172
The XLogP value of 2.0912 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CDS1_004172. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for CDS1_004172. Following Lipinski's Rule of Five, CDS1_004172 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 CDS1_004172?
The CAS number of CDS1_004172 is 1322263-33-1.
What is the molecular formula of CDS1_004172?
The molecular formula of CDS1_004172 is C14H11NO5S2.
What is the molecular weight of CDS1_004172?
The molecular weight of CDS1_004172 is 337.01 g/mol.
Where can I buy CDS1_004172?
You can request a quote for CDS1_004172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CDS1_004172?
Yes, KEHONG BIO provides custom synthesis services for CDS1_004172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.