![2-[4-(Azepan-1-ium-1-yl)quinazolin-2-yl]phenolate structure](/static/products/3328/332850-83-6.webp)
2-[4-(Azepan-1-ium-1-yl)quinazolin-2-yl]phenolate
TL;DR: 2-[4-(Azepan-1-ium-1-yl)quinazolin-2-yl]phenolate (CAS 332850-83-6) is a chemical compound with molecular formula C20H21N3O and molecular weight 319.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(azepan-1-yl)quinazolin-2-yl]phenol
Also Known As: Neuro1_000455, BAS 01839659, 2-[4-(1-azepanyl)-2-quinazolinyl]phenol, 2-(4-(azepan-1-yl)quinazolin-2-yl)phenol, 2-(4-Azepan-1-yl-quinazolin-2-yl)-phenol
| Molecular Formula | C20H21N3O |
|---|---|
| Molecular Weight | 319.17 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 319.16846 |
| Heavy Atoms | 24 |
| Complexity | 396.0 |
Chemical Identifiers
| CAS Number | 332850-83-6 |
|---|---|
| SMILES | C1CCCN(CC1)C2=NC(=NC3=CC=CC=C32)C4=CC=CC=C4O |
| InChIKey | BYDPOJQCZGCFBV-UHFFFAOYSA-N |
Product Overview
2-[4-(Azepan-1-ium-1-yl)quinazolin-2-yl]phenolate (CAS 332850-83-6), with molecular formula C20H21N3O and molecular weight 319.17 g/mol. IUPAC: 2-[4-(azepan-1-yl)quinazolin-2-yl]phenol.
Chemical Property Profile of 2-[4-(Azepan-1-ium-1-yl)quinazolin-2-yl]phenolate
Property Insights of 2-[4-(Azepan-1-ium-1-yl)quinazolin-2-yl]phenolate
The XLogP value of 4.5 indicates that 2-[4-(Azepan-1-ium-1-yl)quinazolin-2-yl]phenolate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.3 Ų, 2-[4-(Azepan-1-ium-1-yl)quinazolin-2-yl]phenolate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-[4-(Azepan-1-ium-1-yl)quinazolin-2-yl]phenolate has 1 hydrogen bond donor(s) and 4 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-(Azepan-1-ium-1-yl)quinazolin-2-yl]phenolate?
The CAS number of 2-[4-(Azepan-1-ium-1-yl)quinazolin-2-yl]phenolate is 332850-83-6.
What is the molecular formula of 2-[4-(Azepan-1-ium-1-yl)quinazolin-2-yl]phenolate?
The molecular formula of 2-[4-(Azepan-1-ium-1-yl)quinazolin-2-yl]phenolate is C20H21N3O.
What is the molecular weight of 2-[4-(Azepan-1-ium-1-yl)quinazolin-2-yl]phenolate?
The molecular weight of 2-[4-(Azepan-1-ium-1-yl)quinazolin-2-yl]phenolate is 319.17 g/mol.
Where can I buy 2-[4-(Azepan-1-ium-1-yl)quinazolin-2-yl]phenolate?
You can request a quote for 2-[4-(Azepan-1-ium-1-yl)quinazolin-2-yl]phenolate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(Azepan-1-ium-1-yl)quinazolin-2-yl]phenolate?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(Azepan-1-ium-1-yl)quinazolin-2-yl]phenolate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.