(+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene
TL;DR: (+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene (CAS 76024-59-4) 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.
(15S,17R,18R,19S)-16-oxapentacyclo[12.5.0.02,7.08,13.015,17]nonadeca-1(14),2,4,6,8,10,12-heptaene-18,19-diol
Also Known As: TP diol epoxide-1, syn-Benzo(c)phenanthrene-3,4-diol-1,2-epoxide, syn-Benzo(c)phenanthrene-3,4-dihydrodiol-1,2-epoxide, (+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene, SYN-BENZO[C]PHENANTHRENE-3,4-DIOL-1,2-EPOXIDE
| Molecular Formula | C18H14O3 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 2.3 |
| 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 | 76024-59-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C3=CC=CC=C3C4=C2[C@@H]([C@H]([C@@H]5[C@H]4O5)O)O |
| InChIKey | FUWPVBOHQHKBIF-XWTMOSNGSA-N |
Product Overview
(+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene (CAS 76024-59-4), with molecular formula C18H14O3 and molecular weight 278.09 g/mol. IUPAC: (15S,17R,18R,19S)-16-oxapentacyclo[12.5.0.02,7.08,13.015,17]nonadeca-1(14),2,4,6,8,10,12-heptaene-18,19-diol.
Chemical Property Profile of (+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene
Property Insights of (+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene. With a topological polar surface area (TPSA) of 53.0 Ų, (+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene 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 (+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene?
The CAS number of (+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene is 76024-59-4.
What is the molecular formula of (+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene?
The molecular formula of (+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene is C18H14O3.
What is the molecular weight of (+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene?
The molecular weight of (+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene is 278.09 g/mol.
Where can I buy (+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene?
You can request a quote for (+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene?
Yes, KEHONG BIO provides custom synthesis services for (+)-(1S,2R,3R,4S)-3,4-Dihydroxy-1,2-epoxy-1,2,3,4-tetrahydrobenzo(c)phenanthrene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.