3,4-Epoxy-1,2,3,4-tetrahydrochrysene
TL;DR: 3,4-Epoxy-1,2,3,4-tetrahydrochrysene (CAS 67694-88-6) is a chemical compound with molecular formula C18H14O and molecular weight 246.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene
Also Known As: 3,4-Epoxy-1,2,3,4-tetrahydrochrysene, (+)-Chrysene-H4-3,4-epoxide, (-)-Chrysene-H4-3,4-epoxide, (+)-3,4-Epoxy-1,2,3,4-tetrahydrochrysene, (-)-3,4-Epoxy-1,2,3,4-tetrahydrochrysene
| Molecular Formula | C18H14O |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 246.10446 |
| Heavy Atoms | 19 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 67694-88-6 |
|---|---|
| SMILES | C1CC2=C(C3C1O3)C4=C(C=C2)C5=CC=CC=C5C=C4 |
| InChIKey | QACFNHCNHLHKBN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4-Epoxy-1,2,3,4-tetrahydrochrysene (CAS 67694-88-6), with molecular formula C18H14O and molecular weight 246.10 g/mol. IUPAC: 4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene.
Chemical Property Profile of 3,4-Epoxy-1,2,3,4-tetrahydrochrysene
Property Insights of 3,4-Epoxy-1,2,3,4-tetrahydrochrysene
The XLogP value of 4.3 indicates that 3,4-Epoxy-1,2,3,4-tetrahydrochrysene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 3,4-Epoxy-1,2,3,4-tetrahydrochrysene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Epoxy-1,2,3,4-tetrahydrochrysene has 0 hydrogen bond donor(s) and 1 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 3,4-Epoxy-1,2,3,4-tetrahydrochrysene?
The CAS number of 3,4-Epoxy-1,2,3,4-tetrahydrochrysene is 67694-88-6.
What is the molecular formula of 3,4-Epoxy-1,2,3,4-tetrahydrochrysene?
The molecular formula of 3,4-Epoxy-1,2,3,4-tetrahydrochrysene is C18H14O.
What is the molecular weight of 3,4-Epoxy-1,2,3,4-tetrahydrochrysene?
The molecular weight of 3,4-Epoxy-1,2,3,4-tetrahydrochrysene is 246.10 g/mol.
Where can I buy 3,4-Epoxy-1,2,3,4-tetrahydrochrysene?
You can request a quote for 3,4-Epoxy-1,2,3,4-tetrahydrochrysene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Epoxy-1,2,3,4-tetrahydrochrysene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Epoxy-1,2,3,4-tetrahydrochrysene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.