山小橘碱
TL;DR: 山小橘碱 (CAS 6873-15-0) is a chemical compound with molecular formula C16H14N2O and molecular weight 250.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
山小橘碱
2-benzyl-1-methylquinazolin-4-one
Also Known As: Arborine, Glycosine, Arborin, Glycosin, 2-Benzyl-1-methylquinazolin-4(1H)-one
| Molecular Formula | C16H14N2O |
|---|---|
| Molecular Weight | 250.11 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 32.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 250.11061 |
| Heavy Atoms | 19 |
| Complexity | 371.0 |
| Melting Point | 161 - 162 °C |
Chemical Identifiers
| CAS Number | 6873-15-0 |
|---|---|
| SMILES | CN1C2=CC=CC=C2C(=O)N=C1CC3=CC=CC=C3 |
| InChIKey | XVPZRKIQCKKYNE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
山小橘碱 (CAS 6873-15-0), with molecular formula C16H14N2O and molecular weight 250.11 g/mol. IUPAC: 2-benzyl-1-methylquinazolin-4-one.
Chemical Property Profile of 山小橘碱
Property Insights of 山小橘碱
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 山小橘碱. With a topological polar surface area (TPSA) of 32.7 Ų, 山小橘碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 山小橘碱 has 0 hydrogen bond donor(s) and 1 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 山小橘碱?
The CAS number of 山小橘碱 is 6873-15-0.
What is the molecular formula of 山小橘碱?
The molecular formula of 山小橘碱 is C16H14N2O.
What is the molecular weight of 山小橘碱?
The molecular weight of 山小橘碱 is 250.11 g/mol.
Where can I buy 山小橘碱?
You can request a quote for 山小橘碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 山小橘碱?
Yes, KEHONG BIO provides custom synthesis services for 山小橘碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.