间甲苯酸酐
TL;DR: 间甲苯酸酐 (CAS 21436-44-2) is a chemical compound with molecular formula C16H14O3 and molecular weight 254.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
间甲苯酸酐
(3-methylbenzoyl) 3-methylbenzoate
Also Known As: 3-Methylbenzoic anhydride, m-Toluic anhydride, (3-methylbenzoyl) 3-methylbenzoate, 3-methylbenzene-1-carboxylic anhydride, 3-methylbenzoyl 3-methylbenzoate
| Molecular Formula | C16H14O3 |
|---|---|
| Molecular Weight | 254.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.0943 |
| Heavy Atoms | 19 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 21436-44-2 |
|---|---|
| SMILES | CC1=CC(=CC=C1)C(=O)OC(=O)C2=CC=CC(=C2)C |
| InChIKey | DGZSQLHPEZFGSI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 5 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
间甲苯酸酐 (CAS 21436-44-2), with molecular formula C16H14O3 and molecular weight 254.09 g/mol. IUPAC: (3-methylbenzoyl) 3-methylbenzoate.
Chemical Property Profile of 间甲苯酸酐
Property Insights of 间甲苯酸酐
The XLogP value of 3.9 indicates that 间甲苯酸酐 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 43.4 Ų, 间甲苯酸酐 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 间甲苯酸酐 has 0 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 间甲苯酸酐?
The CAS number of 间甲苯酸酐 is 21436-44-2.
What is the molecular formula of 间甲苯酸酐?
The molecular formula of 间甲苯酸酐 is C16H14O3.
What is the molecular weight of 间甲苯酸酐?
The molecular weight of 间甲苯酸酐 is 254.09 g/mol.
Where can I buy 间甲苯酸酐?
You can request a quote for 间甲苯酸酐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 间甲苯酸酐?
Yes, KEHONG BIO provides custom synthesis services for 间甲苯酸酐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.