Chrysenediol, 3,4-epoxy-1,2,3,4-tetrahydro-, (+)-(E)-
TL;DR: Chrysenediol, 3,4-epoxy-1,2,3,4-tetrahydro-, (+)-(E)- (CAS 64938-66-5) 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[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol
Also Known As: (+)-anti-CDE, NIOSH/GC2060000, syn-Chrysene-1,2-diol 3,4-oxide, anti-Chrysene-1,2-diol-3,4-epoxide, Chrysenediol, 3,4-epoxy-1,2,3,4-tetrahydro-, (+)-(E)-
| 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 | 64938-66-5 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=CC3=C2C=CC4=C3[C@@H]5[C@@H](O5)[C@H]([C@@H]4O)O |
| InChIKey | KPTYXJLOWLVCMU-XDNAFOTISA-N |
Product Overview
Chrysenediol, 3,4-epoxy-1,2,3,4-tetrahydro-, (+)-(E)- (CAS 64938-66-5), with molecular formula C18H14O3 and molecular weight 278.09 g/mol. IUPAC: (3R,5S,6S,7R)-4-oxapentacyclo[9.8.0.02,8.03,5.012,17]nonadeca-1(11),2(8),9,12,14,16,18-heptaene-6,7-diol.
Chemical Property Profile of Chrysenediol, 3,4-epoxy-1,2,3,4-tetrahydro-, (+)-(E)-
Property Insights of Chrysenediol, 3,4-epoxy-1,2,3,4-tetrahydro-, (+)-(E)-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Chrysenediol, 3,4-epoxy-1,2,3,4-tetrahydro-, (+)-(E)-. With a topological polar surface area (TPSA) of 53.0 Ų, Chrysenediol, 3,4-epoxy-1,2,3,4-tetrahydro-, (+)-(E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chrysenediol, 3,4-epoxy-1,2,3,4-tetrahydro-, (+)-(E)- 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 Chrysenediol, 3,4-epoxy-1,2,3,4-tetrahydro-, (+)-(E)-?
The CAS number of Chrysenediol, 3,4-epoxy-1,2,3,4-tetrahydro-, (+)-(E)- is 64938-66-5.
What is the molecular formula of Chrysenediol, 3,4-epoxy-1,2,3,4-tetrahydro-, (+)-(E)-?
The molecular formula of Chrysenediol, 3,4-epoxy-1,2,3,4-tetrahydro-, (+)-(E)- is C18H14O3.
What is the molecular weight of Chrysenediol, 3,4-epoxy-1,2,3,4-tetrahydro-, (+)-(E)-?
The molecular weight of Chrysenediol, 3,4-epoxy-1,2,3,4-tetrahydro-, (+)-(E)- is 278.09 g/mol.
Where can I buy Chrysenediol, 3,4-epoxy-1,2,3,4-tetrahydro-, (+)-(E)-?
You can request a quote for Chrysenediol, 3,4-epoxy-1,2,3,4-tetrahydro-, (+)-(E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chrysenediol, 3,4-epoxy-1,2,3,4-tetrahydro-, (+)-(E)-?
Yes, KEHONG BIO provides custom synthesis services for Chrysenediol, 3,4-epoxy-1,2,3,4-tetrahydro-, (+)-(E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.