BAS 00502964
TL;DR: BAS 00502964 (CAS 1164489-97-7) is a chemical compound with molecular formula C22H17N3O2S3 and molecular weight 451.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-benzyl-1,3-thiazol-2-yl)acetamide
Also Known As: BAS 00502964, 2-(5-Benzylidene-4-oxo-2-thioxo-thiazolidin-3-yl)-N-(5-benzyl-thiazol-2-yl)-acetamide, 2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-benzyl-1,3-thiazol-2-yl)acetamide, N-(5-BENZYL-1,3-THIAZOL-2-YL)-2-[(5Z)-4-OXO-5-(PHENYLMETHYLIDENE)-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]ACETAMIDE, (Z)-2-(5-benzylidene-4-oxo-2-thioxothiazolidin-3-yl)-N-(5-benzylthiazol-2-yl)acetamide
| Molecular Formula | C22H17N3O2S3 |
|---|---|
| Molecular Weight | 451.05 g/mol |
| LogP | 4.5738 |
| Topological Polar Surface Area | 62.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 451.04828 |
| Heavy Atoms | 30 |
| Complexity | 1110.926 |
Chemical Identifiers
| CAS Number | 1164489-97-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)CC2=CN=C(S2)NC(=O)CN3C(=O)/C(=C/C4=CC=CC=C4)/SC3=S |
Product Overview
BAS 00502964 (CAS 1164489-97-7), with molecular formula C22H17N3O2S3 and molecular weight 451.05 g/mol. IUPAC: 2-[(5Z)-5-benzylidene-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]-N-(5-benzyl-1,3-thiazol-2-yl)acetamide.
Chemical Property Profile of BAS 00502964
Property Insights of BAS 00502964
The XLogP value of 4.5738 indicates that BAS 00502964 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 62.3 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00502964. Following Lipinski's Rule of Five, BAS 00502964 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 00502964?
The CAS number of BAS 00502964 is 1164489-97-7.
What is the molecular formula of BAS 00502964?
The molecular formula of BAS 00502964 is C22H17N3O2S3.
What is the molecular weight of BAS 00502964?
The molecular weight of BAS 00502964 is 451.05 g/mol.
Where can I buy BAS 00502964?
You can request a quote for BAS 00502964 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00502964?
Yes, KEHONG BIO provides custom synthesis services for BAS 00502964 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.