C21H23N3O2.ClH.1/2H2O
TL;DR: C21H23N3O2.ClH.1/2H2O (CAS 74101-62-5) is a chemical compound with molecular formula C21H24ClN3O2 and molecular weight 385.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-butyl-2-methyl-3-(2-methylphenyl)-4-oxoquinazoline-7-carboxamide;hydrochloride
Also Known As: C21H23N3O2.ClH.1/2H2O, C21-H23-N3-O2.Cl-H.1/2H2-O, 7-Quinazolinecarboxamide, 3,4-dihydro-N-butyl-2-methyl-3-(2-methylphenyl)-4-oxo-, hydrochloride, hydrate (2:2:1), 2-Methyl-3-o-tolyl-7-(N-butylcarboxamide)-4(3H)-quinazolone hydrochloride hemihydrate, N-butyl-2-methyl-3-(2-methylphenyl)-4-oxoquinazoline-7-carboxamide hydrochloride
| Molecular Formula | C21H24ClN3O2 |
|---|---|
| Molecular Weight | 385.16 g/mol |
| LogP | 3.95424 |
| Topological Polar Surface Area | 63.99 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.1557 |
| Heavy Atoms | 27 |
| Complexity | 1027.6007 |
Chemical Identifiers
| CAS Number | 74101-62-5 |
|---|---|
| SMILES | CCCCNC(=O)C1=CC2=C(C=C1)C(=O)N(C(=N2)C)C3=CC=CC=C3C.Cl |
Product Overview
C21H23N3O2.ClH.1/2H2O (CAS 74101-62-5), with molecular formula C21H24ClN3O2 and molecular weight 385.16 g/mol. IUPAC: N-butyl-2-methyl-3-(2-methylphenyl)-4-oxoquinazoline-7-carboxamide;hydrochloride.
Chemical Property Profile of C21H23N3O2.ClH.1/2H2O
Property Insights of C21H23N3O2.ClH.1/2H2O
The XLogP value of 3.95424 indicates that C21H23N3O2.ClH.1/2H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 63.99 Ų falls within the moderate polarity range, balancing permeability and solubility for C21H23N3O2.ClH.1/2H2O. Following Lipinski's Rule of Five, C21H23N3O2.ClH.1/2H2O has 1 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 C21H23N3O2.ClH.1/2H2O?
The CAS number of C21H23N3O2.ClH.1/2H2O is 74101-62-5.
What is the molecular formula of C21H23N3O2.ClH.1/2H2O?
The molecular formula of C21H23N3O2.ClH.1/2H2O is C21H24ClN3O2.
What is the molecular weight of C21H23N3O2.ClH.1/2H2O?
The molecular weight of C21H23N3O2.ClH.1/2H2O is 385.16 g/mol.
Where can I buy C21H23N3O2.ClH.1/2H2O?
You can request a quote for C21H23N3O2.ClH.1/2H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H23N3O2.ClH.1/2H2O?
Yes, KEHONG BIO provides custom synthesis services for C21H23N3O2.ClH.1/2H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.