3R-1302
TL;DR: 3R-1302 (CAS 383148-09-2) is a chemical compound with molecular formula C23H22ClF3N4O2S2 and molecular weight 542.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)sulfonyl-4-[5-prop-2-enylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]piperidine
Also Known As: 3R-1302, 4-{5-(allylsulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl}-1-[(4-chlorophenyl)sulfonyl]piperidine, 1-(4-chlorobenzenesulfonyl)-4-[5-(prop-2-en-1-ylsulfanyl)-4-[3-(trifluoromethyl)phenyl]-4H-1,2,4-triazol-3-yl]piperidine, 1-(4-chlorophenyl)sulfonyl-4-[5-prop-2-enylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]piperidine
| Molecular Formula | C23H22ClF3N4O2S2 |
|---|---|
| Molecular Weight | 542.08 g/mol |
| LogP | 5.7859 |
| Topological Polar Surface Area | 68.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 542.08246 |
| Heavy Atoms | 35 |
| Complexity | 1303.0458 |
Chemical Identifiers
| CAS Number | 383148-09-2 |
|---|---|
| SMILES | C=CCSC1=NN=C(N1C2=CC=CC(=C2)C(F)(F)F)C3CCN(CC3)S(=O)(=O)C4=CC=C(C=C4)Cl |
Product Overview
3R-1302 (CAS 383148-09-2), with molecular formula C23H22ClF3N4O2S2 and molecular weight 542.08 g/mol. IUPAC: 1-(4-chlorophenyl)sulfonyl-4-[5-prop-2-enylsulfanyl-4-[3-(trifluoromethyl)phenyl]-1,2,4-triazol-3-yl]piperidine.
Chemical Property Profile of 3R-1302
Property Insights of 3R-1302
The XLogP value of 5.7859 indicates that 3R-1302 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 68.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 3R-1302. Following Lipinski's Rule of Five, 3R-1302 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3R-1302?
The CAS number of 3R-1302 is 383148-09-2.
What is the molecular formula of 3R-1302?
The molecular formula of 3R-1302 is C23H22ClF3N4O2S2.
What is the molecular weight of 3R-1302?
The molecular weight of 3R-1302 is 542.08 g/mol.
Where can I buy 3R-1302?
You can request a quote for 3R-1302 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3R-1302?
Yes, KEHONG BIO provides custom synthesis services for 3R-1302 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.