CHI 46
TL;DR: CHI 46 (CAS 3166-57-2) is a chemical compound with molecular formula C16H13Cl2N3O3 and molecular weight 365.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
CHI 46
3-(5-chloro-2-methyl-4-nitrophenyl)-2-methylquinazolin-4-one;hydrochloride
Also Known As: 4(3H)-Quinazolinone, 3-(5-chloro-4-nitro-o-tolyl)-2-methyl-, hydrochloride, 2-Methyl-3-(2'-methyl-4'-nitro-5'-chlorphenyl)chinazolon-4 hydrochloride [German], 4(3H)-Quinazolinone, 3-(5-chloro-2-methyl-4-nitrophenyl)-2-methyl-, hydrochloride, 2-Methyl-3-(2'-methyl-4'-nitro-5'-chlorphenyl)chinazolon-4 hydrochloride, 3-(5-chloro-2-methyl-4-nitrophenyl)-2-methylquinazolin-4-one hydrochloride
| Molecular Formula | C16H13Cl2N3O3 |
|---|---|
| Molecular Weight | 365.03 g/mol |
| LogP | 3.99 |
| Topological Polar Surface Area | 78.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 365.0334 |
| Heavy Atoms | 24 |
| Complexity | 533.0 |
Chemical Identifiers
| CAS Number | 3166-57-2 |
|---|---|
| SMILES | CC1=CC(=C(C=C1N2C(=NC3=CC=CC=C3C2=O)C)Cl)[N+](=O)[O-].Cl |
| InChIKey | OHVCLCGKSARQIH-UHFFFAOYSA-N |
Product Overview
CHI 46 (CAS 3166-57-2), with molecular formula C16H13Cl2N3O3 and molecular weight 365.03 g/mol. IUPAC: 3-(5-chloro-2-methyl-4-nitrophenyl)-2-methylquinazolin-4-one;hydrochloride.
Chemical Property Profile of CHI 46
Property Insights of CHI 46
The XLogP value of 3.99 indicates that CHI 46 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for CHI 46. Following Lipinski's Rule of Five, CHI 46 has 1 hydrogen bond donor(s) and 4 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 CHI 46?
The CAS number of CHI 46 is 3166-57-2.
What is the molecular formula of CHI 46?
The molecular formula of CHI 46 is C16H13Cl2N3O3.
What is the molecular weight of CHI 46?
The molecular weight of CHI 46 is 365.03 g/mol.
Where can I buy CHI 46?
You can request a quote for CHI 46 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CHI 46?
Yes, KEHONG BIO provides custom synthesis services for CHI 46 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.