(-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene
TL;DR: (-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene (CAS 89618-15-5) 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.
(3S,5R)-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene
Also Known As: NIOSH/CX3154100, (-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene, (1aR-cis)-1a,2,3,11c-Tetrahydrobenzo(6,7)phenanthro(3,4-b)oxirene, Benz(a)anthracene, 1,2,3,4-tetrahydro-1-alpha,2-alpha-epoxy-, (-)-, 1a,2,3,11c-Tetrahydrobenzo(6,7)phenanthro(3,4-b)oxirene (1aR-cis)-
| Molecular Formula | C18H14O |
|---|---|
| Molecular Weight | 246.10 g/mol |
| LogP | 4.1 |
| 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 | 89618-15-5 |
|---|---|
| SMILES | C1CC2=C([C@H]3[C@@H]1O3)C4=CC5=CC=CC=C5C=C4C=C2 |
| InChIKey | BPWAWXRCSBRVLU-SJLPKXTDSA-N |
Product Overview
(-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene (CAS 89618-15-5), with molecular formula C18H14O and molecular weight 246.10 g/mol. IUPAC: (3S,5R)-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene.
Chemical Property Profile of (-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene
Property Insights of (-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene
The XLogP value of 4.1 indicates that (-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, (-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene 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 (-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene?
The CAS number of (-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene is 89618-15-5.
What is the molecular formula of (-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene?
The molecular formula of (-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene is C18H14O.
What is the molecular weight of (-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene?
The molecular weight of (-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene is 246.10 g/mol.
Where can I buy (-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene?
You can request a quote for (-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene?
Yes, KEHONG BIO provides custom synthesis services for (-)-(1S,2R)-Epoxy-1,2,3,4-tetrahydrobenz(a)anthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.