BAS 00277060
TL;DR: BAS 00277060 (CAS 5675-34-3) is a chemical compound with molecular formula C14H11NO3S2 and molecular weight 305.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
Also Known As: BAS 00277060, 2-(3-Allyl-4-oxo-2-thioxothiazolidin-5-ylidenemethyl)-benzoic acid, 2-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid, 2-(3-Allyl-4-oxo-2-thioxo-thiazolidin-5-ylidenemethyl)-benzoic acid, 2-[(3-allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]benzoic acid
| Molecular Formula | C14H11NO3S2 |
|---|---|
| Molecular Weight | 305.02 g/mol |
| LogP | 2.772 |
| Topological Polar Surface Area | 57.61 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 305.01804 |
| Heavy Atoms | 20 |
| Complexity | 637.0611 |
Chemical Identifiers
| CAS Number | 5675-34-3 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=CC=CC=C2C(=O)O)/SC1=S |
Product Overview
BAS 00277060 (CAS 5675-34-3), with molecular formula C14H11NO3S2 and molecular weight 305.02 g/mol. IUPAC: 2-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]benzoic acid.
Chemical Property Profile of BAS 00277060
Property Insights of BAS 00277060
The XLogP value of 2.772 suggests moderate lipophilicity, balancing water solubility and membrane permeability for BAS 00277060. With a topological polar surface area (TPSA) of 57.61 Ų, BAS 00277060 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00277060 has 1 hydrogen bond donor(s) and 4 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 00277060?
The CAS number of BAS 00277060 is 5675-34-3.
What is the molecular formula of BAS 00277060?
The molecular formula of BAS 00277060 is C14H11NO3S2.
What is the molecular weight of BAS 00277060?
The molecular weight of BAS 00277060 is 305.02 g/mol.
Where can I buy BAS 00277060?
You can request a quote for BAS 00277060 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00277060?
Yes, KEHONG BIO provides custom synthesis services for BAS 00277060 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.