Cresatin
TL;DR: Cresatin (CAS 122-46-3) is a chemical compound with molecular formula C9H10O2 and molecular weight 150.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methylphenyl) acetate
Also Known As: M-TOLYL ACETATE, m-Cresyl acetate, Cresatin, m-Acetoxytoluene, 3-Methylphenyl acetate
| Molecular Formula | C9H10O2 |
|---|---|
| Molecular Weight | 150.07 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 150.06808 |
| Heavy Atoms | 11 |
| Complexity | 142.0 |
Chemical Identifiers
| CAS Number | 122-46-3 |
|---|---|
| SMILES | CC1=CC(=CC=C1)OC(=O)C |
| InChIKey | OTGAHJPFNKQGAE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Cresatin (CAS 122-46-3), with molecular formula C9H10O2 and molecular weight 150.07 g/mol. IUPAC: (3-methylphenyl) acetate.
Chemical Property Profile of Cresatin
Property Insights of Cresatin
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Cresatin. With a topological polar surface area (TPSA) of 26.3 Ų, Cresatin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Cresatin 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 Cresatin?
The CAS number of Cresatin is 122-46-3.
What is the molecular formula of Cresatin?
The molecular formula of Cresatin is C9H10O2.
What is the molecular weight of Cresatin?
The molecular weight of Cresatin is 150.07 g/mol.
Where can I buy Cresatin?
You can request a quote for Cresatin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Cresatin?
Yes, KEHONG BIO provides custom synthesis services for Cresatin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.