[5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol
TL;DR: [5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol (CAS 40545-73-1) is a chemical compound with molecular formula C21H21ClN4O2 and molecular weight 396.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-4-yl]phenyl]-phenylmethanone
Also Known As: [5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol|(5-Chloro-2-{3-methyl-5-[(morpholin-4-yl)methyl]-4H-1,2,4-triazol-4-yl}phenyl)(phenyl)methanone|[5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-4-yl]phenyl]-phenylmethanone
| Molecular Formula | C21H21ClN4O2 |
|---|---|
| Molecular Weight | 396.14 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 60.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 396.1353 |
| Heavy Atoms | 28 |
| Complexity | 525.0 |
Chemical Identifiers
| CAS Number | 40545-73-1 |
|---|---|
| SMILES | CC1=NN=C(N1C2=C(C=C(C=C2)Cl)C(=O)C3=CC=CC=C3)CN4CCOCC4 |
| InChIKey | FRNDWGBVYLJORG-UHFFFAOYSA-N |
Product Overview
[5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol (CAS 40545-73-1), with molecular formula C21H21ClN4O2 and molecular weight 396.14 g/mol. IUPAC: [5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol-4-yl]phenyl]-phenylmethanone.
Chemical Property Profile of [5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol
Property Insights of [5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol
The XLogP value of 3.0 indicates that [5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.3 Ų falls within the moderate polarity range, balancing permeability and solubility for [5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol. Following Lipinski's Rule of Five, [5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol has 0 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 [5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol?
The CAS number of [5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol is 40545-73-1.
What is the molecular formula of [5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol?
The molecular formula of [5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol is C21H21ClN4O2.
What is the molecular weight of [5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol?
The molecular weight of [5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol is 396.14 g/mol.
Where can I buy [5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol?
You can request a quote for [5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for [5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol?
Yes, KEHONG BIO provides custom synthesis services for [5-chloro-2-[3-methyl-5-(morpholin-4-ylmethyl)-1,2,4-triazol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.