Clociquanil hydrochloride
TL;DR: Clociquanil hydrochloride (CAS 22242-55-3) is a chemical compound with molecular formula C12H16Cl3N5O and molecular weight 351.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[(3,4-dichlorophenoxy)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride
Also Known As: Clociquanil hydrochloride, BRL 50216, WR 38839, 1-[(3,4-Dichlorophenoxy)methyl]-6,6-dimethyl-1,3,5-triazinane-2,4-diimine--hydrogen chloride (1/1), 1-[(3,4-dichlorophenoxy)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine hydrochloride
| Molecular Formula | C12H16Cl3N5O |
|---|---|
| Molecular Weight | 351.04 g/mol |
| LogP | 2.43 |
| Topological Polar Surface Area | 89.2 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 351.04205 |
| Heavy Atoms | 21 |
| Complexity | 426.0 |
Chemical Identifiers
| CAS Number | 22242-55-3 |
|---|---|
| SMILES | CC1(N=C(N=C(N1COC2=CC(=C(C=C2)Cl)Cl)N)N)C.Cl |
| InChIKey | UUIHIMMKQQFOAP-UHFFFAOYSA-N |
Product Overview
Clociquanil hydrochloride (CAS 22242-55-3), with molecular formula C12H16Cl3N5O and molecular weight 351.04 g/mol. IUPAC: 1-[(3,4-dichlorophenoxy)methyl]-6,6-dimethyl-1,3,5-triazine-2,4-diamine;hydrochloride.
Chemical Property Profile of Clociquanil hydrochloride
Property Insights of Clociquanil hydrochloride
The XLogP value of 2.43 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Clociquanil hydrochloride. The TPSA of 89.2 Ų falls within the moderate polarity range, balancing permeability and solubility for Clociquanil hydrochloride. Following Lipinski's Rule of Five, Clociquanil hydrochloride has 3 hydrogen bond donor(s) and 2 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 Clociquanil hydrochloride?
The CAS number of Clociquanil hydrochloride is 22242-55-3.
What is the molecular formula of Clociquanil hydrochloride?
The molecular formula of Clociquanil hydrochloride is C12H16Cl3N5O.
What is the molecular weight of Clociquanil hydrochloride?
The molecular weight of Clociquanil hydrochloride is 351.04 g/mol.
Where can I buy Clociquanil hydrochloride?
You can request a quote for Clociquanil hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clociquanil hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Clociquanil hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.