BAS 00273481
TL;DR: BAS 00273481 (CAS 5679-37-8) is a chemical compound with molecular formula C20H14ClNO3S2 and molecular weight 415.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-chlorobenzoate
Also Known As: BAS 00273481, 4-[(3-allyl-4-oxo-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-chlorobenzoate, [4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-chlorobenzoate, 4-[(4-oxo-3-prop-2-enyl-2-thioxo-1,3-thiazolidin-5-ylidene)methyl]phenyl 2-chl orobenzoate, 4-{(E)-[4-Oxo-3-(prop-2-en-1-yl)-2-sulfanylidene-1,3-thiazolidin-5-ylidene]methyl}phenyl 2-chlorobenzoate
| Molecular Formula | C20H14ClNO3S2 |
|---|---|
| Molecular Weight | 415.01 g/mol |
| LogP | 4.9464 |
| Topological Polar Surface Area | 46.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.01038 |
| Heavy Atoms | 27 |
| Complexity | 953.9541 |
Chemical Identifiers
| CAS Number | 5679-37-8 |
|---|---|
| SMILES | C=CCN1C(=O)/C(=C\C2=CC=C(C=C2)OC(=O)C3=CC=CC=C3Cl)/SC1=S |
Product Overview
BAS 00273481 (CAS 5679-37-8), with molecular formula C20H14ClNO3S2 and molecular weight 415.01 g/mol. IUPAC: [4-[(E)-(4-oxo-3-prop-2-enyl-2-sulfanylidene-1,3-thiazolidin-5-ylidene)methyl]phenyl] 2-chlorobenzoate.
Chemical Property Profile of BAS 00273481
Property Insights of BAS 00273481
The XLogP value of 4.9464 indicates that BAS 00273481 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.61 Ų, BAS 00273481 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00273481 has 0 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 00273481?
The CAS number of BAS 00273481 is 5679-37-8.
What is the molecular formula of BAS 00273481?
The molecular formula of BAS 00273481 is C20H14ClNO3S2.
What is the molecular weight of BAS 00273481?
The molecular weight of BAS 00273481 is 415.01 g/mol.
Where can I buy BAS 00273481?
You can request a quote for BAS 00273481 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00273481?
Yes, KEHONG BIO provides custom synthesis services for BAS 00273481 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.