2,4-Diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate
TL;DR: 2,4-Diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate (CAS 40066-23-7) is a chemical compound with molecular formula C16H16Cl3N5 and molecular weight 383.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-N-[(3,4-dichlorophenyl)methyl]-6-N-methylquinazoline-2,4,6-triamine;hydrochloride
Also Known As: 2,4-Diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate, 2,4,6-Quinazolinetriamine, N6-((3,4-dichlorophenyl)methyl)-N6-methyl-, monohydrochloride, Quinazoline, 2,4-diamino-6-((3,4-dichlorobenzyl)methylamino)-, hydrochloride, hemihydrate, n6-(3,4-dichlorobenzyl)-n6-methylquinazoline-2,4,6-triamine hydrochloride(1:1), 6-N-[(3,4-dichlorophenyl)methyl]-6-N-methylquinazoline-2,4,6-triamine hydrochloride
| Molecular Formula | C16H16Cl3N5 |
|---|---|
| Molecular Weight | 383.05 g/mol |
| LogP | 4.1592 |
| Topological Polar Surface Area | 81.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 383.04712 |
| Heavy Atoms | 24 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 40066-23-7 |
|---|---|
| SMILES | CN(CC1=CC(=C(C=C1)Cl)Cl)C2=CC3=C(C=C2)N=C(N=C3N)N.Cl |
| InChIKey | AACHVAZSRUTBPT-UHFFFAOYSA-N |
Product Overview
2,4-Diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate (CAS 40066-23-7), with molecular formula C16H16Cl3N5 and molecular weight 383.05 g/mol. IUPAC: 6-N-[(3,4-dichlorophenyl)methyl]-6-N-methylquinazoline-2,4,6-triamine;hydrochloride.
Chemical Property Profile of 2,4-Diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate
Property Insights of 2,4-Diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate
The XLogP value of 4.1592 indicates that 2,4-Diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 81.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,4-Diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate. Following Lipinski's Rule of Five, 2,4-Diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate 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 2,4-Diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate?
The CAS number of 2,4-Diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate is 40066-23-7.
What is the molecular formula of 2,4-Diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate?
The molecular formula of 2,4-Diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate is C16H16Cl3N5.
What is the molecular weight of 2,4-Diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate?
The molecular weight of 2,4-Diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate is 383.05 g/mol.
Where can I buy 2,4-Diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate?
You can request a quote for 2,4-Diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4-Diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate?
Yes, KEHONG BIO provides custom synthesis services for 2,4-Diamino-6-((3,4-dichlorobenzyl)methylamino)quinazoline hydrochloride hemihydrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.