BAS 02057034
TL;DR: BAS 02057034 (CAS 314751-79-6) is a chemical compound with molecular formula C15H13NO5S2 and molecular weight 351.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid
Also Known As: BAS 02057034, 4-(5-(benzo[d][1,3]dioxol-5-ylmethylene)-4-oxo-2-thioxothiazolidin-3-yl)butanoic acid, 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylene)-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]butanoic acid
| Molecular Formula | C15H13NO5S2 |
|---|---|
| Molecular Weight | 351.02 g/mol |
| LogP | 2.4813 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.02353 |
| Heavy Atoms | 23 |
| Complexity | 715.81885 |
Chemical Identifiers
| CAS Number | 314751-79-6 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)/C=C/3\C(=O)N(C(=S)S3)CCCC(=O)O |
Product Overview
BAS 02057034 (CAS 314751-79-6), with molecular formula C15H13NO5S2 and molecular weight 351.02 g/mol. IUPAC: 4-[(5E)-5-(1,3-benzodioxol-5-ylmethylidene)-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanoic acid.
Chemical Property Profile of BAS 02057034
Property Insights of BAS 02057034
The XLogP value of 2.4813 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 02057034. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 02057034. Following Lipinski's Rule of Five, BAS 02057034 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 BAS 02057034?
The CAS number of BAS 02057034 is 314751-79-6.
What is the molecular formula of BAS 02057034?
The molecular formula of BAS 02057034 is C15H13NO5S2.
What is the molecular weight of BAS 02057034?
The molecular weight of BAS 02057034 is 351.02 g/mol.
Where can I buy BAS 02057034?
You can request a quote for BAS 02057034 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02057034?
Yes, KEHONG BIO provides custom synthesis services for BAS 02057034 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.