BAS 00478324
TL;DR: BAS 00478324 (CAS 314036-16-3) is a chemical compound with molecular formula C20H16ClNO5S2 and molecular weight 449.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BAS 00478324, AB00087617-01, [(5E)-5-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid, ((5E)-5-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)acetic acid, (5-{4-[(2-chlorobenzyl)oxy]-3-methoxybenzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)acetic acid
| Molecular Formula | C20H16ClNO5S2 |
|---|---|
| Molecular Weight | 449.02 g/mol |
| LogP | 4.2134 |
| Topological Polar Surface Area | 76.07 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 449.01584 |
| Heavy Atoms | 29 |
| Complexity | 1008.11615 |
Chemical Identifiers
| CAS Number | 314036-16-3 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)/C=C/2\C(=O)N(C(=S)S2)CC(=O)O)OCC3=CC=CC=C3Cl |
Product Overview
BAS 00478324 (CAS 314036-16-3), with molecular formula C20H16ClNO5S2 and molecular weight 449.02 g/mol. IUPAC: 2-[(5E)-5-[[4-[(2-chlorophenyl)methoxy]-3-methoxyphenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of BAS 00478324
Property Insights of BAS 00478324
The XLogP value of 4.2134 indicates that BAS 00478324 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.07 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00478324. Following Lipinski's Rule of Five, BAS 00478324 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 00478324?
The CAS number of BAS 00478324 is 314036-16-3.
What is the molecular formula of BAS 00478324?
The molecular formula of BAS 00478324 is C20H16ClNO5S2.
What is the molecular weight of BAS 00478324?
The molecular weight of BAS 00478324 is 449.02 g/mol.
Where can I buy BAS 00478324?
You can request a quote for BAS 00478324 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00478324?
Yes, KEHONG BIO provides custom synthesis services for BAS 00478324 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.