间甲苯酸-3-甲基苯酯
TL;DR: 间甲苯酸-3-甲基苯酯 (CAS 23597-27-5) is a chemical compound with molecular formula C15H14O2 and molecular weight 226.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间甲苯酸-3-甲基苯酯
(3-methylphenyl) 3-methylbenzoate
Also Known As: 3-methylphenyl 3-methylbenzoate, m-Toluic acid, 3-methylphenyl ester, (3-methylphenyl) 3-methylbenzoate, m-Toluylic acid, 3-methylphenyl ester, 3-Methylbenzoic acid 3-methylphenyl ester
| Molecular Formula | C15H14O2 |
|---|---|
| Molecular Weight | 226.10 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 226.09938 |
| Heavy Atoms | 17 |
| Complexity | 262.0 |
Chemical Identifiers
| CAS Number | 23597-27-5 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OC2=CC=CC(=C2)C |
| InChIKey | YAYGVOBOOBKUHX-UHFFFAOYSA-N |
Product Overview
间甲苯酸-3-甲基苯酯 (CAS 23597-27-5), with molecular formula C15H14O2 and molecular weight 226.10 g/mol. IUPAC: (3-methylphenyl) 3-methylbenzoate.
Chemical Property Profile of 间甲苯酸-3-甲基苯酯
Property Insights of 间甲苯酸-3-甲基苯酯
The XLogP value of 4.1 indicates that 间甲苯酸-3-甲基苯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 间甲苯酸-3-甲基苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间甲苯酸-3-甲基苯酯 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 间甲苯酸-3-甲基苯酯?
The CAS number of 间甲苯酸-3-甲基苯酯 is 23597-27-5.
What is the molecular formula of 间甲苯酸-3-甲基苯酯?
The molecular formula of 间甲苯酸-3-甲基苯酯 is C15H14O2.
What is the molecular weight of 间甲苯酸-3-甲基苯酯?
The molecular weight of 间甲苯酸-3-甲基苯酯 is 226.10 g/mol.
Where can I buy 间甲苯酸-3-甲基苯酯?
You can request a quote for 间甲苯酸-3-甲基苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间甲苯酸-3-甲基苯酯?
Yes, KEHONG BIO provides custom synthesis services for 间甲苯酸-3-甲基苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.