2H-4a,9-Epoxyphenanthren-2-ol, 1,3,4,9-tetrahydro-9-methyl-, benzoate
TL;DR: 2H-4a,9-Epoxyphenanthren-2-ol, 1,3,4,9-tetrahydro-9-methyl-, benzoate (CAS 64271-93-8) is a chemical compound with molecular formula C22H20O3 and molecular weight 332.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(8-methyl-15-oxatetracyclo[6.6.1.01,10.02,7]pentadeca-2,4,6,9-tetraen-12-yl) benzoate
Also Known As: (methyl[?]yl) benzoate, 2H-4a,9-Epoxyphenanthren-2-ol, 1,3,4,9-tetrahydro-9-methyl-, benzoate, 2H-4a, 1,3,4,9-tetrahydro-9-methyl-, benzoate, 9-Methyl-1,3,4,9-tetrahydro-2H-4a,9-epoxyphenanthren-2-yl benzoate
| Molecular Formula | C22H20O3 |
|---|---|
| Molecular Weight | 332.14 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 332.14124 |
| Heavy Atoms | 25 |
| Complexity | 590.0 |
Chemical Identifiers
| CAS Number | 64271-93-8 |
|---|---|
| SMILES | CC12C=C3CC(CCC3(O1)C4=CC=CC=C24)OC(=O)C5=CC=CC=C5 |
| InChIKey | VWKAYLAMUFEYKZ-UHFFFAOYSA-N |
Product Overview
2H-4a,9-Epoxyphenanthren-2-ol, 1,3,4,9-tetrahydro-9-methyl-, benzoate (CAS 64271-93-8), with molecular formula C22H20O3 and molecular weight 332.14 g/mol. IUPAC: (8-methyl-15-oxatetracyclo[6.6.1.01,10.02,7]pentadeca-2,4,6,9-tetraen-12-yl) benzoate.
Chemical Property Profile of 2H-4a,9-Epoxyphenanthren-2-ol, 1,3,4,9-tetrahydro-9-methyl-, benzoate
Property Insights of 2H-4a,9-Epoxyphenanthren-2-ol, 1,3,4,9-tetrahydro-9-methyl-, benzoate
The XLogP value of 3.7 indicates that 2H-4a,9-Epoxyphenanthren-2-ol, 1,3,4,9-tetrahydro-9-methyl-, benzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.5 Ų, 2H-4a,9-Epoxyphenanthren-2-ol, 1,3,4,9-tetrahydro-9-methyl-, benzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2H-4a,9-Epoxyphenanthren-2-ol, 1,3,4,9-tetrahydro-9-methyl-, benzoate 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 2H-4a,9-Epoxyphenanthren-2-ol, 1,3,4,9-tetrahydro-9-methyl-, benzoate?
The CAS number of 2H-4a,9-Epoxyphenanthren-2-ol, 1,3,4,9-tetrahydro-9-methyl-, benzoate is 64271-93-8.
What is the molecular formula of 2H-4a,9-Epoxyphenanthren-2-ol, 1,3,4,9-tetrahydro-9-methyl-, benzoate?
The molecular formula of 2H-4a,9-Epoxyphenanthren-2-ol, 1,3,4,9-tetrahydro-9-methyl-, benzoate is C22H20O3.
What is the molecular weight of 2H-4a,9-Epoxyphenanthren-2-ol, 1,3,4,9-tetrahydro-9-methyl-, benzoate?
The molecular weight of 2H-4a,9-Epoxyphenanthren-2-ol, 1,3,4,9-tetrahydro-9-methyl-, benzoate is 332.14 g/mol.
Where can I buy 2H-4a,9-Epoxyphenanthren-2-ol, 1,3,4,9-tetrahydro-9-methyl-, benzoate?
You can request a quote for 2H-4a,9-Epoxyphenanthren-2-ol, 1,3,4,9-tetrahydro-9-methyl-, benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2H-4a,9-Epoxyphenanthren-2-ol, 1,3,4,9-tetrahydro-9-methyl-, benzoate?
Yes, KEHONG BIO provides custom synthesis services for 2H-4a,9-Epoxyphenanthren-2-ol, 1,3,4,9-tetrahydro-9-methyl-, benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.