Di-o-tolyl carbonate
TL;DR: Di-o-tolyl carbonate (CAS 617-09-4) is a chemical compound with molecular formula C15H14O3 and molecular weight 242.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methylphenyl) carbonate
Also Known As: Di-o-tolyl carbonate, ditolylcarbonat, bis(2-methylphenyl) carbonate, bis-o-tolyl carbonate, Di-o-cresyl carbonate
| Molecular Formula | C15H14O3 |
|---|---|
| Molecular Weight | 242.09 g/mol |
| LogP | 4.4 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 242.0943 |
| Heavy Atoms | 18 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 617-09-4 |
|---|---|
| SMILES | CC1=CC=CC=C1OC(=O)OC2=CC=CC=C2C |
| InChIKey | POZGCGJFBOZPCM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Di-o-tolyl carbonate (CAS 617-09-4), with molecular formula C15H14O3 and molecular weight 242.09 g/mol. IUPAC: bis(2-methylphenyl) carbonate.
Chemical Property Profile of Di-o-tolyl carbonate
Property Insights of Di-o-tolyl carbonate
The XLogP value of 4.4 indicates that Di-o-tolyl carbonate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, Di-o-tolyl carbonate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Di-o-tolyl carbonate 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 Di-o-tolyl carbonate?
The CAS number of Di-o-tolyl carbonate is 617-09-4.
What is the molecular formula of Di-o-tolyl carbonate?
The molecular formula of Di-o-tolyl carbonate is C15H14O3.
What is the molecular weight of Di-o-tolyl carbonate?
The molecular weight of Di-o-tolyl carbonate is 242.09 g/mol.
Where can I buy Di-o-tolyl carbonate?
You can request a quote for Di-o-tolyl carbonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Di-o-tolyl carbonate?
Yes, KEHONG BIO provides custom synthesis services for Di-o-tolyl carbonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.