(+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene
TL;DR: (+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene (CAS 80446-23-7) is a chemical compound with molecular formula C18H14O3 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,5S,6S,7R)-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol
Also Known As: Ecipramidil, 5-17-05-00478 (Beilstein Handbook Reference), (+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene, Benz(a)anthracene-3-beta,4-alpha-diol, 1,2,3,4-tetrahydro-1-beta,2-beta-epoxy-, (+)-, (1R,2S,3S,4R)-1,2-Epoxy-1,2,3,4-tetrahydrobenzo[a]anthracene-3,4-diol
| Molecular Formula | C18H14O3 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 278.0943 |
| Heavy Atoms | 21 |
| Complexity | 425.0 |
Chemical Identifiers
| CAS Number | 80446-23-7 |
|---|---|
| SMILES | C1=CC=C2C=C3C(=CC2=C1)C=CC4=C3[C@@H]5[C@@H](O5)[C@H]([C@@H]4O)O |
| InChIKey | JNQSJMYLVFOQBK-XDNAFOTISA-N |
Product Overview
(+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene (CAS 80446-23-7), with molecular formula C18H14O3 and molecular weight 278.09 g/mol. IUPAC: (3R,5S,6S,7R)-4-oxapentacyclo[9.8.0.02,8.03,5.013,18]nonadeca-1(19),2(8),9,11,13,15,17-heptaene-6,7-diol.
Chemical Property Profile of (+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene
Property Insights of (+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene. With a topological polar surface area (TPSA) of 53.0 Ų, (+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene has 2 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 (+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene?
The CAS number of (+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene is 80446-23-7.
What is the molecular formula of (+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene?
The molecular formula of (+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene is C18H14O3.
What is the molecular weight of (+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene?
The molecular weight of (+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene is 278.09 g/mol.
Where can I buy (+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene?
You can request a quote for (+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-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 (+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene?
Yes, KEHONG BIO provides custom synthesis services for (+)-(1R,2S,3S,4R)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenz(a)anthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.