BAS 00459507
TL;DR: BAS 00459507 (CAS 161192-40-1) is a chemical compound with molecular formula C19H15NO4S2 and molecular weight 385.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BAS 00459507, [5-(3-Benzyloxy-benzylidene)-4-oxo-2-thioxo-thiazolidin-3-yl]-acetic acid, {(5E)-5-[3-(benzyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid, {5-[3-(benzyloxy)benzylidene]-4-oxo-2-thioxo-1,3-thiazolidin-3-yl}acetic acid, 2-(5-{[3-(benzyloxy)phenyl]methylidene}-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl)acetic acid
| Molecular Formula | C19H15NO4S2 |
|---|---|
| Molecular Weight | 385.04 g/mol |
| LogP | 3.5514 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.04425 |
| Heavy Atoms | 26 |
| Complexity | 880.1177 |
Chemical Identifiers
| CAS Number | 161192-40-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC2=CC=CC(=C2)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O |
Product Overview
BAS 00459507 (CAS 161192-40-1), with molecular formula C19H15NO4S2 and molecular weight 385.04 g/mol. IUPAC: 2-[(5E)-4-oxo-5-[(3-phenylmethoxyphenyl)methylidene]-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of BAS 00459507
Property Insights of BAS 00459507
The XLogP value of 3.5514 indicates that BAS 00459507 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 66.84 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00459507. Following Lipinski's Rule of Five, BAS 00459507 has 1 hydrogen bond donor(s) and 5 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 00459507?
The CAS number of BAS 00459507 is 161192-40-1.
What is the molecular formula of BAS 00459507?
The molecular formula of BAS 00459507 is C19H15NO4S2.
What is the molecular weight of BAS 00459507?
The molecular weight of BAS 00459507 is 385.04 g/mol.
Where can I buy BAS 00459507?
You can request a quote for BAS 00459507 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00459507?
Yes, KEHONG BIO provides custom synthesis services for BAS 00459507 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.