RefChem:227379
TL;DR: RefChem:227379 (CAS 77966-95-1) is a chemical compound with molecular formula C21H26ClN5O and molecular weight 399.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]adamantane-1-carbohydrazide;hydrochloride
Also Known As: 1-Adamantanecarboxylic acid, 2-(5-(p-tolyl)-3-as-triazinyl)hydrazide, hydrochloride, Tricyclo(3.3.1.13,7)decane-1-carboxylic acid, 2-(5-(4-methylphenyl)-1,2,4-triazin-3-yl)hydrazide, hydrochloride, N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]adamantane-1-carbohydrazide hydrochloride, N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]adamantane-1-carbohydrazidehydrochloride, N-[5-(4-Methylphenyl)-1,2,4-triazin-3-yl]adamantane-1-carbohydrazonic acid--hydrogen chloride (1/1)
| Molecular Formula | C21H26ClN5O |
|---|---|
| Molecular Weight | 399.18 g/mol |
| LogP | 3.93 |
| Topological Polar Surface Area | 79.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 399.1826 |
| Heavy Atoms | 28 |
| Complexity | 517.0 |
Chemical Identifiers
| CAS Number | 77966-95-1 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C2=CN=NC(=N2)NNC(=O)C34CC5CC(C3)CC(C5)C4.Cl |
| InChIKey | WCTVYHFUCVMFGN-UHFFFAOYSA-N |
Product Overview
RefChem:227379 (CAS 77966-95-1), with molecular formula C21H26ClN5O and molecular weight 399.18 g/mol. IUPAC: N'-[5-(4-methylphenyl)-1,2,4-triazin-3-yl]adamantane-1-carbohydrazide;hydrochloride.
Chemical Property Profile of RefChem:227379
Property Insights of RefChem:227379
The XLogP value of 3.93 indicates that RefChem:227379 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 79.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:227379. Following Lipinski's Rule of Five, RefChem:227379 has 3 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 RefChem:227379?
The CAS number of RefChem:227379 is 77966-95-1.
What is the molecular formula of RefChem:227379?
The molecular formula of RefChem:227379 is C21H26ClN5O.
What is the molecular weight of RefChem:227379?
The molecular weight of RefChem:227379 is 399.18 g/mol.
Where can I buy RefChem:227379?
You can request a quote for RefChem:227379 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:227379?
Yes, KEHONG BIO provides custom synthesis services for RefChem:227379 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.