5L-636S
TL;DR: 5L-636S (CAS 338961-67-4) is a chemical compound with molecular formula C18H13Cl2F3N4O3 and molecular weight 460.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-[2,4-dichloro-5-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]phenoxy]acetate
Also Known As: 5L-636S, Ethyl 2-[2,4-dichloro-5-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]phenoxy]acetate, Ethyl 2-(2,4-dichloro-5-(5-(3-(trifluoromethyl)phenyl)-1H-1,2,3,4-tetraazol-1-yl)phenoxy)acetate, ethyl 2-(2,4-dichloro-5-{5-[3-(trifluoromethyl)phenyl]-1H-1,2,3,4-tetrazol-1-yl}phenoxy)acetate, ETHYL 2-(2,4-DICHLORO-5-{5-[3-(TRIFLUOROMETHYL)PHENYL]-1,2,3,4-TETRAZOL-1-YL}PHENOXY)ACETATE
| Molecular Formula | C18H13Cl2F3N4O3 |
|---|---|
| Molecular Weight | 460.03 g/mol |
| LogP | 4.5968 |
| Topological Polar Surface Area | 79.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 460.03168 |
| Heavy Atoms | 30 |
| Complexity | 1073.0704 |
Chemical Identifiers
| CAS Number | 338961-67-4 |
|---|---|
| SMILES | CCOC(=O)COC1=C(C=C(C(=C1)N2C(=NN=N2)C3=CC(=CC=C3)C(F)(F)F)Cl)Cl |
Product Overview
5L-636S (CAS 338961-67-4), with molecular formula C18H13Cl2F3N4O3 and molecular weight 460.03 g/mol. IUPAC: ethyl 2-[2,4-dichloro-5-[5-[3-(trifluoromethyl)phenyl]tetrazol-1-yl]phenoxy]acetate.
Chemical Property Profile of 5L-636S
Property Insights of 5L-636S
The XLogP value of 4.5968 indicates that 5L-636S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 5L-636S. Following Lipinski's Rule of Five, 5L-636S has 0 hydrogen bond donor(s) and 6 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 5L-636S?
The CAS number of 5L-636S is 338961-67-4.
What is the molecular formula of 5L-636S?
The molecular formula of 5L-636S is C18H13Cl2F3N4O3.
What is the molecular weight of 5L-636S?
The molecular weight of 5L-636S is 460.03 g/mol.
Where can I buy 5L-636S?
You can request a quote for 5L-636S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5L-636S?
Yes, KEHONG BIO provides custom synthesis services for 5L-636S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.