BAS 00128333
TL;DR: BAS 00128333 (CAS 302601-76-9) is a chemical compound with molecular formula C18H15ClF3N3OS and molecular weight 413.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
Also Known As: BAS 00128333, (2Z)-2-[(3-chlorophenyl)imino]-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide, (Z)-2-((3-chlorophenyl)imino)-5-methyl-N-(3-(trifluoromethyl)phenyl)thiazolidine-3-carboxamide, {2-[(3-chlorophenyl)azamethylene]-5-methyl(1,3-thiazolidin-3-yl)}-N-[3-(triflu oromethyl)phenyl]carboxamide, 2-(3-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide
| Molecular Formula | C18H15ClF3N3OS |
|---|---|
| Molecular Weight | 413.06 g/mol |
| LogP | 6.0157 |
| Topological Polar Surface Area | 44.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 413.05765 |
| Heavy Atoms | 27 |
| Complexity | 888.1507 |
Chemical Identifiers
| CAS Number | 302601-76-9 |
|---|---|
| SMILES | CC1CN(C(=NC2=CC(=CC=C2)Cl)S1)C(=O)NC3=CC=CC(=C3)C(F)(F)F |
Product Overview
BAS 00128333 (CAS 302601-76-9), with molecular formula C18H15ClF3N3OS and molecular weight 413.06 g/mol. IUPAC: 2-(3-chlorophenyl)imino-5-methyl-N-[3-(trifluoromethyl)phenyl]-1,3-thiazolidine-3-carboxamide.
Chemical Property Profile of BAS 00128333
Property Insights of BAS 00128333
The XLogP value of 6.0157 indicates that BAS 00128333 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.7 Ų, BAS 00128333 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 00128333 has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of BAS 00128333?
The CAS number of BAS 00128333 is 302601-76-9.
What is the molecular formula of BAS 00128333?
The molecular formula of BAS 00128333 is C18H15ClF3N3OS.
What is the molecular weight of BAS 00128333?
The molecular weight of BAS 00128333 is 413.06 g/mol.
Where can I buy BAS 00128333?
You can request a quote for BAS 00128333 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 00128333?
Yes, KEHONG BIO provides custom synthesis services for BAS 00128333 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.