Ba 51-084512
TL;DR: Ba 51-084512 (CAS 5060-50-4) is a chemical compound with molecular formula C16H14N2O2 and molecular weight 266.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[2-(hydroxymethyl)phenyl]-2-methylquinazolin-4-one
Also Known As: 2'-Hydroxymethaqualone, Hydroxyphenyl-methaqualon, 2 -Hydroxymethaqualone, Ba 51-084512, Ba-51-084512
| Molecular Formula | C16H14N2O2 |
|---|---|
| Molecular Weight | 266.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 52.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 266.10553 |
| Heavy Atoms | 20 |
| Complexity | 407.0 |
Chemical Identifiers
| CAS Number | 5060-50-4 |
|---|---|
| SMILES | CC1=NC2=CC=CC=C2C(=O)N1C3=CC=CC=C3CO |
| InChIKey | VHBSPUXYKQNPJR-UHFFFAOYSA-N |
Product Overview
Ba 51-084512 (CAS 5060-50-4), with molecular formula C16H14N2O2 and molecular weight 266.11 g/mol. IUPAC: 3-[2-(hydroxymethyl)phenyl]-2-methylquinazolin-4-one.
Chemical Property Profile of Ba 51-084512
Property Insights of Ba 51-084512
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ba 51-084512. With a topological polar surface area (TPSA) of 52.9 Ų, Ba 51-084512 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ba 51-084512 has 1 hydrogen bond donor(s) and 3 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 Ba 51-084512?
The CAS number of Ba 51-084512 is 5060-50-4.
What is the molecular formula of Ba 51-084512?
The molecular formula of Ba 51-084512 is C16H14N2O2.
What is the molecular weight of Ba 51-084512?
The molecular weight of Ba 51-084512 is 266.11 g/mol.
Where can I buy Ba 51-084512?
You can request a quote for Ba 51-084512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ba 51-084512?
Yes, KEHONG BIO provides custom synthesis services for Ba 51-084512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.