邻甲基苄基乙酸酯
TL;DR: 邻甲基苄基乙酸酯 (CAS 17373-93-2) is a chemical compound with molecular formula C10H12O2 and molecular weight 164.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻甲基苄基乙酸酯
(2-methylphenyl)methyl acetate
Also Known As: o-Methylbenzyl acetate, (2-methylphenyl)methyl acetate, 2-Methylbenzyl acetate, Methylbenzyl acetate, o-Methylbenzylacetate
| Molecular Formula | C10H12O2 |
|---|---|
| Molecular Weight | 164.08 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 164.08372 |
| Heavy Atoms | 12 |
| Complexity | 154.0 |
| Boiling Point | 215.00 to 222.00 °C. @ 760.00 mm Hg |
Chemical Identifiers
| CAS Number | 17373-93-2 |
|---|---|
| SMILES | CC1=CC=CC=C1COC(=O)C |
| InChIKey | BKKDUUVBVHYZFA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻甲基苄基乙酸酯 (CAS 17373-93-2), with molecular formula C10H12O2 and molecular weight 164.08 g/mol. IUPAC: (2-methylphenyl)methyl acetate.
Chemical Property Profile of 邻甲基苄基乙酸酯
Property Insights of 邻甲基苄基乙酸酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 邻甲基苄基乙酸酯. With a topological polar surface area (TPSA) of 26.3 Ų, 邻甲基苄基乙酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻甲基苄基乙酸酯 has 0 hydrogen bond donor(s) and 2 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 邻甲基苄基乙酸酯?
The CAS number of 邻甲基苄基乙酸酯 is 17373-93-2.
What is the molecular formula of 邻甲基苄基乙酸酯?
The molecular formula of 邻甲基苄基乙酸酯 is C10H12O2.
What is the molecular weight of 邻甲基苄基乙酸酯?
The molecular weight of 邻甲基苄基乙酸酯 is 164.08 g/mol.
Where can I buy 邻甲基苄基乙酸酯?
You can request a quote for 邻甲基苄基乙酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻甲基苄基乙酸酯?
Yes, KEHONG BIO provides custom synthesis services for 邻甲基苄基乙酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.