9L-301S
TL;DR: 9L-301S (CAS 400736-19-8) is a chemical compound with molecular formula C19H17Cl2FN4O2 and molecular weight 422.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(2,4-dichloro-5-propan-2-yloxyphenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
Also Known As: 9L-301S, 1-(2,4-dichloro-5-isopropoxyphenyl)-N-(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide, 1-[2,4-dichloro-5-(propan-2-yloxy)phenyl]-N-(4-fluorophenyl)-5-methyl-1H-1,2,4-triazole-3-carboxamide, 1-(2,4-dichloro-5-propan-2-yloxyphenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide, 1-(2,4-dichloro-5-isopropoxyphenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide
| Molecular Formula | C19H17Cl2FN4O2 |
|---|---|
| Molecular Weight | 422.07 g/mol |
| LogP | 5.06112 |
| Topological Polar Surface Area | 69.04 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 422.07126 |
| Heavy Atoms | 28 |
| Complexity | 1019.51825 |
Chemical Identifiers
| CAS Number | 400736-19-8 |
|---|---|
| SMILES | CC1=NC(=NN1C2=CC(=C(C=C2Cl)Cl)OC(C)C)C(=O)NC3=CC=C(C=C3)F |
Product Overview
9L-301S (CAS 400736-19-8), with molecular formula C19H17Cl2FN4O2 and molecular weight 422.07 g/mol. IUPAC: 1-(2,4-dichloro-5-propan-2-yloxyphenyl)-N-(4-fluorophenyl)-5-methyl-1,2,4-triazole-3-carboxamide.
Chemical Property Profile of 9L-301S
Property Insights of 9L-301S
The XLogP value of 5.06112 indicates that 9L-301S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 69.04 Ų falls within the moderate polarity range, balancing permeability and solubility for 9L-301S. Following Lipinski's Rule of Five, 9L-301S 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 9L-301S?
The CAS number of 9L-301S is 400736-19-8.
What is the molecular formula of 9L-301S?
The molecular formula of 9L-301S is C19H17Cl2FN4O2.
What is the molecular weight of 9L-301S?
The molecular weight of 9L-301S is 422.07 g/mol.
Where can I buy 9L-301S?
You can request a quote for 9L-301S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9L-301S?
Yes, KEHONG BIO provides custom synthesis services for 9L-301S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.