syn-Chrysene-3,4-diol 1,2-oxide
TL;DR: syn-Chrysene-3,4-diol 1,2-oxide (CAS 77255-40-4) 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.
(3R,4S,5R,7S)-6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-3,4-diol
Also Known As: syn-Chrysene-3,4-diol 1,2-oxide, r-4,t-3-Dihydroxy-c-1,2-oxy-1,2,3,4-tetrahydrochrysene, 1a,2,3,11b-Tetrahydrochryseno(1,2-b)oxirene-2,3-diol (1a-alpha,2-alpha,3-beta,11b-alpha)-, Chryseno(1,2-b)oxirene-2,3-diol, 1a,2,3,11b-tetrahydro-, (1aR-(1a-alpha,2-alpha,3-beta,11b-alpha))-
| 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 | 77255-40-4 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3[C@H]([C@@H]([C@@H]5[C@H]4O5)O)O |
| InChIKey | LLBQOVSJZWEDIE-VSZNYVQBSA-N |
Product Overview
syn-Chrysene-3,4-diol 1,2-oxide (CAS 77255-40-4), with molecular formula C18H14O3 and molecular weight 278.09 g/mol. IUPAC: (3R,4S,5R,7S)-6-oxapentacyclo[9.8.0.02,8.05,7.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-3,4-diol.
Chemical Property Profile of syn-Chrysene-3,4-diol 1,2-oxide
Property Insights of syn-Chrysene-3,4-diol 1,2-oxide
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for syn-Chrysene-3,4-diol 1,2-oxide. With a topological polar surface area (TPSA) of 53.0 Ų, syn-Chrysene-3,4-diol 1,2-oxide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, syn-Chrysene-3,4-diol 1,2-oxide 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 syn-Chrysene-3,4-diol 1,2-oxide?
The CAS number of syn-Chrysene-3,4-diol 1,2-oxide is 77255-40-4.
What is the molecular formula of syn-Chrysene-3,4-diol 1,2-oxide?
The molecular formula of syn-Chrysene-3,4-diol 1,2-oxide is C18H14O3.
What is the molecular weight of syn-Chrysene-3,4-diol 1,2-oxide?
The molecular weight of syn-Chrysene-3,4-diol 1,2-oxide is 278.09 g/mol.
Where can I buy syn-Chrysene-3,4-diol 1,2-oxide?
You can request a quote for syn-Chrysene-3,4-diol 1,2-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for syn-Chrysene-3,4-diol 1,2-oxide?
Yes, KEHONG BIO provides custom synthesis services for syn-Chrysene-3,4-diol 1,2-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.