BAS 00751830
TL;DR: BAS 00751830 (CAS 331987-88-3) is a chemical compound with molecular formula C19H14ClNO4S2 and molecular weight 419.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5E)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
Also Known As: BAS 00751830, [(5E)-5-{3-[(4-chlorobenzyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl]acetic acid, (E)-2-(5-(3-((4-chlorobenzyl)oxy)benzylidene)-4-oxo-2-thioxothiazolidin-3-yl)acetic acid, ((5E)-5-{3-[(4-chlorobenzyl)oxy]benzylidene}-4-oxo-2-thioxo-1,3-thiazolidin-3-yl)acetic acid, 2-[(5E)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid
| Molecular Formula | C19H14ClNO4S2 |
|---|---|
| Molecular Weight | 419.01 g/mol |
| LogP | 4.2048 |
| Topological Polar Surface Area | 66.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 419.00528 |
| Heavy Atoms | 27 |
| Complexity | 927.5618 |
Chemical Identifiers
| CAS Number | 331987-88-3 |
|---|---|
| SMILES | C1=CC(=CC(=C1)OCC2=CC=C(C=C2)Cl)/C=C/3\C(=O)N(C(=S)S3)CC(=O)O |
Product Overview
BAS 00751830 (CAS 331987-88-3), with molecular formula C19H14ClNO4S2 and molecular weight 419.01 g/mol. IUPAC: 2-[(5E)-5-[[3-[(4-chlorophenyl)methoxy]phenyl]methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]acetic acid.
Chemical Property Profile of BAS 00751830
Property Insights of BAS 00751830
The XLogP value of 4.2048 indicates that BAS 00751830 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 00751830. Following Lipinski's Rule of Five, BAS 00751830 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 00751830?
The CAS number of BAS 00751830 is 331987-88-3.
What is the molecular formula of BAS 00751830?
The molecular formula of BAS 00751830 is C19H14ClNO4S2.
What is the molecular weight of BAS 00751830?
The molecular weight of BAS 00751830 is 419.01 g/mol.
Where can I buy BAS 00751830?
You can request a quote for BAS 00751830 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00751830?
Yes, KEHONG BIO provides custom synthesis services for BAS 00751830 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.