BAS 00161082
TL;DR: BAS 00161082 (CAS 316361-95-2) is a chemical compound with molecular formula C21H22Cl2N2O3S and molecular weight 452.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]butyl N-(4-methylphenyl)carbamate
Also Known As: BAS 00161082, 2-(2-(2,4-dichlorophenyl)-4-oxothiazolidin-3-yl)butyl p-tolylcarbamate, 2-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]butyl (4-methylphenyl)carbamate, 2-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]butyl N-(4-methylphenyl)carbamate
| Molecular Formula | C21H22Cl2N2O3S |
|---|---|
| Molecular Weight | 452.07 g/mol |
| LogP | 5.90312 |
| Topological Polar Surface Area | 58.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 452.0728 |
| Heavy Atoms | 29 |
| Complexity | 891.995 |
Chemical Identifiers
| CAS Number | 316361-95-2 |
|---|---|
| SMILES | CCC(COC(=O)NC1=CC=C(C=C1)C)N2C(SCC2=O)C3=C(C=C(C=C3)Cl)Cl |
Product Overview
BAS 00161082 (CAS 316361-95-2), with molecular formula C21H22Cl2N2O3S and molecular weight 452.07 g/mol. IUPAC: 2-[2-(2,4-dichlorophenyl)-4-oxo-1,3-thiazolidin-3-yl]butyl N-(4-methylphenyl)carbamate.
Chemical Property Profile of BAS 00161082
Property Insights of BAS 00161082
The XLogP value of 5.90312 indicates that BAS 00161082 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.64 Ų, BAS 00161082 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00161082 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00161082?
The CAS number of BAS 00161082 is 316361-95-2.
What is the molecular formula of BAS 00161082?
The molecular formula of BAS 00161082 is C21H22Cl2N2O3S.
What is the molecular weight of BAS 00161082?
The molecular weight of BAS 00161082 is 452.07 g/mol.
Where can I buy BAS 00161082?
You can request a quote for BAS 00161082 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00161082?
Yes, KEHONG BIO provides custom synthesis services for BAS 00161082 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.