邻甲基苯甲酸4-氯苯酯
TL;DR: 邻甲基苯甲酸4-氯苯酯 (CAS 500285-59-6) is a chemical compound with molecular formula C14H11ClO2 and molecular weight 246.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
邻甲基苯甲酸4-氯苯酯
(4-chlorophenyl) 2-methylbenzoate
Also Known As: 4-chlorophenyl 2-methylbenzoate, o-Toluic acid, 4-chlorophenyl ester, (4-chlorophenyl) 2-methylbenzoate, o-Toluylic acid, 4-chlorophenyl ester, AO-548/41144777
| Molecular Formula | C14H11ClO2 |
|---|---|
| Molecular Weight | 246.04 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 246.04475 |
| Heavy Atoms | 17 |
| Complexity | 259.0 |
Chemical Identifiers
| CAS Number | 500285-59-6 |
|---|---|
| SMILES | CC1=CC=CC=C1C(=O)OC2=CC=C(C=C2)Cl |
| InChIKey | GINBDDAROBWNDR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
邻甲基苯甲酸4-氯苯酯 (CAS 500285-59-6), with molecular formula C14H11ClO2 and molecular weight 246.04 g/mol. IUPAC: (4-chlorophenyl) 2-methylbenzoate.
Chemical Property Profile of 邻甲基苯甲酸4-氯苯酯
Property Insights of 邻甲基苯甲酸4-氯苯酯
The XLogP value of 4.9 indicates that 邻甲基苯甲酸4-氯苯酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, 邻甲基苯甲酸4-氯苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 邻甲基苯甲酸4-氯苯酯 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 邻甲基苯甲酸4-氯苯酯?
The CAS number of 邻甲基苯甲酸4-氯苯酯 is 500285-59-6.
What is the molecular formula of 邻甲基苯甲酸4-氯苯酯?
The molecular formula of 邻甲基苯甲酸4-氯苯酯 is C14H11ClO2.
What is the molecular weight of 邻甲基苯甲酸4-氯苯酯?
The molecular weight of 邻甲基苯甲酸4-氯苯酯 is 246.04 g/mol.
Where can I buy 邻甲基苯甲酸4-氯苯酯?
You can request a quote for 邻甲基苯甲酸4-氯苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 邻甲基苯甲酸4-氯苯酯?
Yes, KEHONG BIO provides custom synthesis services for 邻甲基苯甲酸4-氯苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.