BAS 00571581
TL;DR: BAS 00571581 (CAS 301222-89-9) is a chemical compound with molecular formula C25H22ClN3O3S3 and molecular weight 543.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
Also Known As: BAS 00571581, F0207-0445, N-{5-[(2-CHLOROPHENYL)METHYL]-1,3-THIAZOL-2-YL}-4-[(5Z)-5-[(4-METHOXYPHENYL)METHYLIDENE]-4-OXO-2-SULFANYLIDENE-1,3-THIAZOLIDIN-3-YL]BUTANAMIDE, (Z)-N-(5-(2-chlorobenzyl)thiazol-2-yl)-4-(5-(4-methoxybenzylidene)-4-oxo-2-thioxothiazolidin-3-yl)butanamide, N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide
| Molecular Formula | C25H22ClN3O3S3 |
|---|---|
| Molecular Weight | 543.05 g/mol |
| LogP | 6.016 |
| Topological Polar Surface Area | 71.53 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 543.0512 |
| Heavy Atoms | 35 |
| Complexity | 1274.2164 |
Chemical Identifiers
| CAS Number | 301222-89-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)/C=C\2/C(=O)N(C(=S)S2)CCCC(=O)NC3=NC=C(S3)CC4=CC=CC=C4Cl |
Product Overview
BAS 00571581 (CAS 301222-89-9), with molecular formula C25H22ClN3O3S3 and molecular weight 543.05 g/mol. IUPAC: N-[5-[(2-chlorophenyl)methyl]-1,3-thiazol-2-yl]-4-[(5Z)-5-[(4-methoxyphenyl)methylidene]-4-oxo-2-sulfanylidene-1,3-thiazolidin-3-yl]butanamide.
Chemical Property Profile of BAS 00571581
Property Insights of BAS 00571581
The XLogP value of 6.016 indicates that BAS 00571581 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 71.53 Ų falls within the moderate polarity range, balancing permeability and solubility for BAS 00571581. Following Lipinski's Rule of Five, BAS 00571581 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00571581?
The CAS number of BAS 00571581 is 301222-89-9.
What is the molecular formula of BAS 00571581?
The molecular formula of BAS 00571581 is C25H22ClN3O3S3.
What is the molecular weight of BAS 00571581?
The molecular weight of BAS 00571581 is 543.05 g/mol.
Where can I buy BAS 00571581?
You can request a quote for BAS 00571581 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00571581?
Yes, KEHONG BIO provides custom synthesis services for BAS 00571581 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.