1,2,3-Benzotriazin-4(3H)-one, 3-(cyclohexylmethyl)-
TL;DR: 1,2,3-Benzotriazin-4(3H)-one, 3-(cyclohexylmethyl)- (CAS 646524-78-9) is a chemical compound with molecular formula C14H17N3O and molecular weight 243.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(cyclohexylmethyl)-1,2,3-benzotriazin-4-one
Also Known As: 1,2,3-Benzotriazin-4(3H)-one, 3-(cyclohexylmethyl)-, 3-(cyclohexylmethyl)-1,2,3-benzotriazin-4-one, 1,4-dibenzyl-piperazine-2-carboxylic acid propylamide, 3-(Cyclohexylmethyl)-1,2,3-benzotriazin-4(3H)-one
| Molecular Formula | C14H17N3O |
|---|---|
| Molecular Weight | 243.14 g/mol |
| LogP | 2.3718 |
| Topological Polar Surface Area | 47.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 243.13716 |
| Heavy Atoms | 18 |
| Complexity | 599.25574 |
Chemical Identifiers
| CAS Number | 646524-78-9 |
|---|---|
| SMILES | C1CCC(CC1)CN2C(=O)C3=CC=CC=C3N=N2 |
Product Overview
1,2,3-Benzotriazin-4(3H)-one, 3-(cyclohexylmethyl)- (CAS 646524-78-9), with molecular formula C14H17N3O and molecular weight 243.14 g/mol. IUPAC: 3-(cyclohexylmethyl)-1,2,3-benzotriazin-4-one.
Chemical Property Profile of 1,2,3-Benzotriazin-4(3H)-one, 3-(cyclohexylmethyl)-
Property Insights of 1,2,3-Benzotriazin-4(3H)-one, 3-(cyclohexylmethyl)-
The XLogP value of 2.3718 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,3-Benzotriazin-4(3H)-one, 3-(cyclohexylmethyl)-. With a topological polar surface area (TPSA) of 47.78 Ų, 1,2,3-Benzotriazin-4(3H)-one, 3-(cyclohexylmethyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Benzotriazin-4(3H)-one, 3-(cyclohexylmethyl)- has 0 hydrogen bond donor(s) and 3 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 1,2,3-Benzotriazin-4(3H)-one, 3-(cyclohexylmethyl)-?
The CAS number of 1,2,3-Benzotriazin-4(3H)-one, 3-(cyclohexylmethyl)- is 646524-78-9.
What is the molecular formula of 1,2,3-Benzotriazin-4(3H)-one, 3-(cyclohexylmethyl)-?
The molecular formula of 1,2,3-Benzotriazin-4(3H)-one, 3-(cyclohexylmethyl)- is C14H17N3O.
What is the molecular weight of 1,2,3-Benzotriazin-4(3H)-one, 3-(cyclohexylmethyl)-?
The molecular weight of 1,2,3-Benzotriazin-4(3H)-one, 3-(cyclohexylmethyl)- is 243.14 g/mol.
Where can I buy 1,2,3-Benzotriazin-4(3H)-one, 3-(cyclohexylmethyl)-?
You can request a quote for 1,2,3-Benzotriazin-4(3H)-one, 3-(cyclohexylmethyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Benzotriazin-4(3H)-one, 3-(cyclohexylmethyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Benzotriazin-4(3H)-one, 3-(cyclohexylmethyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.