BAS 00871935
TL;DR: BAS 00871935 (CAS 306323-53-5) is a chemical compound with molecular formula C16H17NO6S2 and molecular weight 383.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]propanoic acid
Also Known As: BAS 00871935, 3-{4-OXO-2-SULFANYLIDENE-5-[(3,4,5-TRIMETHOXYPHENYL)METHYLIDENE]-1,3-THIAZOLIDIN-3-YL}PROPANOIC ACID, (E)-3-(4-oxo-2-thioxo-5-(3,4,5-trimethoxybenzylidene)thiazolidin-3-yl)propanoic acid, F0393-0108, 3-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]propanoic acid
| Molecular Formula | C16H17NO6S2 |
|---|---|
| Molecular Weight | 383.05 g/mol |
| LogP | 2.3883 |
| Topological Polar Surface Area | 85.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 383.04974 |
| Heavy Atoms | 25 |
| Complexity | 721.1356 |
Chemical Identifiers
| CAS Number | 306323-53-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)/C=C/2\C(=O)N(C(=S)S2)CCC(=O)O |
Product Overview
BAS 00871935 (CAS 306323-53-5), with molecular formula C16H17NO6S2 and molecular weight 383.05 g/mol. IUPAC: 3-[(5E)-4-oxo-2-sulfanylidene-5-[(3,4,5-trimethoxyphenyl)methylidene]-1,3-thiazolidin-3-yl]propanoic acid.
Chemical Property Profile of BAS 00871935
Property Insights of BAS 00871935
The XLogP value of 2.3883 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00871935. The TPSA of 85.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00871935. Following Lipinski's Rule of Five, BAS 00871935 has 1 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 BAS 00871935?
The CAS number of BAS 00871935 is 306323-53-5.
What is the molecular formula of BAS 00871935?
The molecular formula of BAS 00871935 is C16H17NO6S2.
What is the molecular weight of BAS 00871935?
The molecular weight of BAS 00871935 is 383.05 g/mol.
Where can I buy BAS 00871935?
You can request a quote for BAS 00871935 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00871935?
Yes, KEHONG BIO provides custom synthesis services for BAS 00871935 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.