BAS 00534038
TL;DR: BAS 00534038 (CAS 299952-62-8) is a chemical compound with molecular formula C18H13N3O5S2 and molecular weight 415.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-nitrobenzamide
Also Known As: BAS 00534038, BIM-0023512.P001, AB00088677-01, N-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-nitrobenzamide, (Z)-N-(5-(2-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)-4-nitrobenzamide
| Molecular Formula | C18H13N3O5S2 |
|---|---|
| Molecular Weight | 415.03 g/mol |
| LogP | 3.1496 |
| Topological Polar Surface Area | 101.78 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 415.02966 |
| Heavy Atoms | 28 |
| Complexity | 1004.5356 |
Chemical Identifiers
| CAS Number | 299952-62-8 |
|---|---|
| SMILES | COC1=CC=CC=C1/C=C\2/C(=O)N(C(=S)S2)NC(=O)C3=CC=C(C=C3)[N+](=O)[O-] |
Product Overview
BAS 00534038 (CAS 299952-62-8), with molecular formula C18H13N3O5S2 and molecular weight 415.03 g/mol. IUPAC: N-[(5Z)-5-[(2-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-4-nitrobenzamide.
Chemical Property Profile of BAS 00534038
Property Insights of BAS 00534038
The XLogP value of 3.1496 indicates that BAS 00534038 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.78 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00534038. Following Lipinski's Rule of Five, BAS 00534038 has 1 hydrogen bond donor(s) and 7 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 00534038?
The CAS number of BAS 00534038 is 299952-62-8.
What is the molecular formula of BAS 00534038?
The molecular formula of BAS 00534038 is C18H13N3O5S2.
What is the molecular weight of BAS 00534038?
The molecular weight of BAS 00534038 is 415.03 g/mol.
Where can I buy BAS 00534038?
You can request a quote for BAS 00534038 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00534038?
Yes, KEHONG BIO provides custom synthesis services for BAS 00534038 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.