N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine
TL;DR: N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine (CAS 150450-53-6) is a chemical compound with molecular formula C16H12ClN3O2 and molecular weight 313.0618 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine
Also Known As: MBCQ, 4-Quinazolinamine, UPCMLD-DP008, UPCMLD-DP008:001, UPCMLD-DP008:002
Technical Specifications
| Molecular Formula | C16H12ClN3O2 |
| Molecular Weight | 313.0618 g/mol |
| XLogP | 3.8 |
| Topological Polar Surface Area (TPSA) | 56.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 313.0618 Da |
| Heavy Atoms | 22 |
| Complexity | 386.0 |
| SMILES | C1OC2=C(O1)C=C(C=C2)CNC3=NC=NC4=C3C=C(C=C4)Cl |
| InChIKey | CNODHOSDWZLJGA-UHFFFAOYSA-N |
Chemical Property Profile of N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine
Property Insights of N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine
The XLogP value of 3.8 indicates that N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.3 Ų, N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine 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
What is the CAS number of N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine?
The CAS number of N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine is 150450-53-6.
What is the molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine?
The molecular formula of N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine is C16H12ClN3O2.
What is the molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine?
The molecular weight of N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine is 313.0618 g/mol.
Where can I buy N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine?
You can request a quote for N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine?
Yes, CoreyChem provides custom synthesis services for N-(1,3-benzodioxol-5-ylmethyl)-6-chloroquinazolin-4-amine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.