甲酚
TL;DR: 甲酚 (CAS 1319-77-3) is a chemical compound with molecular formula C21H24O3 and molecular weight 324.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲酚
2-methylphenol;3-methylphenol;4-methylphenol
Also Known As: cresol, Methylphenol, Cresylic acid, Tricresol, cresolum
| Molecular Formula | C21H24O3 |
|---|---|
| Molecular Weight | 324.17 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 324.17255 |
| Heavy Atoms | 24 |
| Complexity | 204.0 |
Chemical Identifiers
| CAS Number | 1319-77-3 |
|---|---|
| SMILES | CC1=CC=C(C=C1)O.CC1=CC(=CC=C1)O.CC1=CC=CC=C1O |
| InChIKey | QTWJRLJHJPIABL-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
甲酚 (CAS 1319-77-3), with molecular formula C21H24O3 and molecular weight 324.17 g/mol. IUPAC: 2-methylphenol;3-methylphenol;4-methylphenol.
Chemical Property Profile of 甲酚
Property Insights of 甲酚
The XLogP value of 5.1 indicates that 甲酚 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 甲酚. Following Lipinski's Rule of Five, 甲酚 has 3 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 甲酚?
The CAS number of 甲酚 is 1319-77-3.
What is the molecular formula of 甲酚?
The molecular formula of 甲酚 is C21H24O3.
What is the molecular weight of 甲酚?
The molecular weight of 甲酚 is 324.17 g/mol.
Where can I buy 甲酚?
You can request a quote for 甲酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲酚?
Yes, KEHONG BIO provides custom synthesis services for 甲酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.