BAS 02789612
TL;DR: BAS 02789612 (CAS 330831-66-8) is a chemical compound with molecular formula C16H17ClN2O2S and molecular weight 336.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-3-ethyl-5-methyloxolan-2-one
Also Known As: BAS 02789612, 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-3-ethyl-5-methyloxolan-2-one, 5-(2-((2-chlorophenyl)amino)thiazol-4-yl)-3-ethyl-5-methyldihydrofuran-2(3H)-one, 5-[2-(2-Chloro-phenylamino)-thiazol-4-yl]-3-ethyl-5-methyl-dihydro-furan-2-one, 5-{2-[(2-chlorophenyl)amino]-1,3-thiazol-4-yl}-3-ethyl-5-methyldihydrofuran-2(3H)-one
| Molecular Formula | C16H17ClN2O2S |
|---|---|
| Molecular Weight | 336.07 g/mol |
| LogP | 4.7284 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 336.06992 |
| Heavy Atoms | 22 |
| Complexity | 702.95917 |
Chemical Identifiers
| CAS Number | 330831-66-8 |
|---|---|
| SMILES | CCC1CC(OC1=O)(C)C2=CSC(=N2)NC3=CC=CC=C3Cl |
Product Overview
BAS 02789612 (CAS 330831-66-8), with molecular formula C16H17ClN2O2S and molecular weight 336.07 g/mol. IUPAC: 5-[2-(2-chloroanilino)-1,3-thiazol-4-yl]-3-ethyl-5-methyloxolan-2-one.
Chemical Property Profile of BAS 02789612
Property Insights of BAS 02789612
The XLogP value of 4.7284 indicates that BAS 02789612 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, BAS 02789612 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BAS 02789612 has 1 hydrogen bond donor(s) and 5 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 02789612?
The CAS number of BAS 02789612 is 330831-66-8.
What is the molecular formula of BAS 02789612?
The molecular formula of BAS 02789612 is C16H17ClN2O2S.
What is the molecular weight of BAS 02789612?
The molecular weight of BAS 02789612 is 336.07 g/mol.
Where can I buy BAS 02789612?
You can request a quote for BAS 02789612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BAS 02789612?
Yes, KEHONG BIO provides custom synthesis services for BAS 02789612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.