N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-quinazolinamine
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-quinazolinamine (CAS 150450-73-0) is a chemical compound with molecular formula C16H12ClN3O2 and molecular weight 313.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(1,3-benzodioxol-5-ylmethyl)-7-chloroquinazolin-4-amine
Also Known As: N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-quinazolinamine, N-(1,3-benzodioxol-5-ylmethyl)-7-chloroquinazolin-4-amine, N-[(2H-1,3-benzodioxol-5-yl)methyl]-7-chloroquinazolin-4-amine, 12N-835, Benzo[1,3]dioxol-5-ylmethyl-(7-chloro-quinazolin-4-yl)-amine
| Molecular Formula | C16H12ClN3O2 |
|---|---|
| Molecular Weight | 313.06 g/mol |
| LogP | 3.624 |
| Topological Polar Surface Area | 56.27 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.0618 |
| Heavy Atoms | 22 |
| Complexity | 853.9137 |
Chemical Identifiers
| CAS Number | 150450-73-0 |
|---|---|
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3C=CC(=C4)Cl |
Product Overview
N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-quinazolinamine (CAS 150450-73-0), with molecular formula C16H12ClN3O2 and molecular weight 313.06 g/mol. IUPAC: N-(1,3-benzodioxol-5-ylmethyl)-7-chloroquinazolin-4-amine.
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-quinazolinamine
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-quinazolinamine
The XLogP value of 3.624 indicates that N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-quinazolinamine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.27 Ų, N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-quinazolinamine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-quinazolinamine has 1 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 N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-quinazolinamine?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-quinazolinamine is 150450-73-0.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-quinazolinamine?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-quinazolinamine is C16H12ClN3O2.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-quinazolinamine?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-quinazolinamine is 313.06 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-quinazolinamine?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-quinazolinamine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-quinazolinamine?
Yes, KEHONG BIO provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-7-chloro-4-quinazolinamine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.