BAS 00871959
TL;DR: BAS 00871959 (CAS 313530-05-1) is a chemical compound with molecular formula C14H10N2O5S2 and molecular weight 350.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BAS 00871959, BIM-0005724.P001, 2-((Z)-5-((E)-3-(2-nitrophenyl)allylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, {5-[3-(2-nitrophenyl)-2-propen-1-ylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid, 2-[(5Z)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C14H10N2O5S2 |
|---|---|
| Molecular Weight | 350.00 g/mol |
| LogP | 2.4368 |
| Topological Polar Surface Area | 100.75 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 350.0031 |
| Heavy Atoms | 23 |
| Complexity | 757.2894 |
Chemical Identifiers
| CAS Number | 313530-05-1 |
|---|---|
| SMILES | C1=CC=C(C(=C1)/C=C/C=C\2/C(=O)N(C(=S)S2)CC(=O)O)[N+](=O)[O-] |
Product Overview
BAS 00871959 (CAS 313530-05-1), with molecular formula C14H10N2O5S2 and molecular weight 350.00 g/mol. IUPAC: 2-[(5Z)-5-[(E)-3-(2-nitrophenyl)prop-2-enylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of BAS 00871959
Property Insights of BAS 00871959
The XLogP value of 2.4368 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00871959. The TPSA of 100.75 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00871959. Following Lipinski's Rule of Five, BAS 00871959 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 00871959?
The CAS number of BAS 00871959 is 313530-05-1.
What is the molecular formula of BAS 00871959?
The molecular formula of BAS 00871959 is C14H10N2O5S2.
What is the molecular weight of BAS 00871959?
The molecular weight of BAS 00871959 is 350.00 g/mol.
Where can I buy BAS 00871959?
You can request a quote for BAS 00871959 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00871959?
Yes, KEHONG BIO provides custom synthesis services for BAS 00871959 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.