2-Chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2HCl H2O
TL;DR: 2-Chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2HCl H2O (CAS 111218-79-2) is a chemical compound with molecular formula C22H29Cl3N4O4 and molecular weight 518.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[3-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]phenoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride
Also Known As: 2-Chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2HCl H2O, 2-Propanol, 1-(3-((2-chloro-6,7-dimethoxy-4-quinazolinyl)amino)phenoxy)-3-((1-methylethyl)amino)-, dihydrochloride, hydrate, 1-[3-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]phenoxy]-3-(propan-2-ylamino)propan-2-ol dihydrochloride, 1-{3-[(2-Chloro-6,7-dimethoxyquinazolin-4(3H)-ylidene)amino]phenoxy}-3-[(propan-2-yl)amino]propan-2-ol--hydrogen chloride (1/2), RefChem:265732
| Molecular Formula | C22H29Cl3N4O4 |
|---|---|
| Molecular Weight | 518.13 g/mol |
| LogP | 4.6253 |
| Topological Polar Surface Area | 97.76 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 518.1254 |
| Heavy Atoms | 33 |
| Complexity | 1039.9387 |
Chemical Identifiers
| CAS Number | 111218-79-2 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=CC(=C1)NC2=NC(=NC3=CC(=C(C=C32)OC)OC)Cl)O.Cl.Cl |
Product Overview
2-Chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2HCl H2O (CAS 111218-79-2), with molecular formula C22H29Cl3N4O4 and molecular weight 518.13 g/mol. IUPAC: 1-[3-[(2-chloro-6,7-dimethoxyquinazolin-4-yl)amino]phenoxy]-3-(propan-2-ylamino)propan-2-ol;dihydrochloride.
Chemical Property Profile of 2-Chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2HCl H2O
Property Insights of 2-Chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2HCl H2O
The XLogP value of 4.6253 indicates that 2-Chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2HCl H2O is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.76 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2HCl H2O. Following Lipinski's Rule of Five, 2-Chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2HCl H2O has 3 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-Chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2HCl H2O?
The CAS number of 2-Chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2HCl H2O is 111218-79-2.
What is the molecular formula of 2-Chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2HCl H2O?
The molecular formula of 2-Chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2HCl H2O is C22H29Cl3N4O4.
What is the molecular weight of 2-Chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2HCl H2O?
The molecular weight of 2-Chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2HCl H2O is 518.13 g/mol.
Where can I buy 2-Chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2HCl H2O?
You can request a quote for 2-Chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2HCl H2O directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2HCl H2O?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-4-(3-(3'-isopropylamino-2'-oxopropoxy)phenylamino)-6,7-dimethoxyquinazoline 2HCl H2O and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.