12,13-Dihydroxy-10,11-epoxy-10,11,12,13-tetrahydrodibenz(a,e)fluoranthenene
TL;DR: 12,13-Dihydroxy-10,11-epoxy-10,11,12,13-tetrahydrodibenz(a,e)fluoranthenene (CAS 85057-68-7) is a chemical compound with molecular formula C24H16O3 and molecular weight 352.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
21-oxaheptacyclo[14.8.1.02,7.08,25.09,14.017,23.020,22]pentacosa-1(24),2,4,6,8(25),9,11,13,15,17(23)-decaene-18,19-diol
Also Known As: 12,13-Dihydroxy-10,11-epoxy-10,11,12,13-tetrahydrodibenz(a,e)fluoranthenene, Dibenz(1,2:4,5)aceanthryleno(9,10-b)oxirene-12,13-diol, 1a,12,13,13a-tetrahydro-(1a-alpha,12-alpha,13-beta,13a-alpha)-, 9b,10a,11,12-tetrahydroindeno[1',2',3':6,7]tetrapheno[3,4-b]oxirene-11,12-diol
| Molecular Formula | C24H16O3 |
|---|---|
| Molecular Weight | 352.11 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 53.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 352.10995 |
| Heavy Atoms | 27 |
| Complexity | 621.0 |
Chemical Identifiers
| CAS Number | 85057-68-7 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C4=C(C=C5C3=C2C6=CC=CC=C65)C7C(O7)C(C4O)O |
| InChIKey | UPBCIAXHHNZBLG-UHFFFAOYSA-N |
Product Overview
12,13-Dihydroxy-10,11-epoxy-10,11,12,13-tetrahydrodibenz(a,e)fluoranthenene (CAS 85057-68-7), with molecular formula C24H16O3 and molecular weight 352.11 g/mol. IUPAC: 21-oxaheptacyclo[14.8.1.02,7.08,25.09,14.017,23.020,22]pentacosa-1(24),2,4,6,8(25),9,11,13,15,17(23)-decaene-18,19-diol.
Chemical Property Profile of 12,13-Dihydroxy-10,11-epoxy-10,11,12,13-tetrahydrodibenz(a,e)fluoranthenene
Property Insights of 12,13-Dihydroxy-10,11-epoxy-10,11,12,13-tetrahydrodibenz(a,e)fluoranthenene
The XLogP value of 3.3 indicates that 12,13-Dihydroxy-10,11-epoxy-10,11,12,13-tetrahydrodibenz(a,e)fluoranthenene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 53.0 Ų, 12,13-Dihydroxy-10,11-epoxy-10,11,12,13-tetrahydrodibenz(a,e)fluoranthenene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 12,13-Dihydroxy-10,11-epoxy-10,11,12,13-tetrahydrodibenz(a,e)fluoranthenene 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 12,13-Dihydroxy-10,11-epoxy-10,11,12,13-tetrahydrodibenz(a,e)fluoranthenene?
The CAS number of 12,13-Dihydroxy-10,11-epoxy-10,11,12,13-tetrahydrodibenz(a,e)fluoranthenene is 85057-68-7.
What is the molecular formula of 12,13-Dihydroxy-10,11-epoxy-10,11,12,13-tetrahydrodibenz(a,e)fluoranthenene?
The molecular formula of 12,13-Dihydroxy-10,11-epoxy-10,11,12,13-tetrahydrodibenz(a,e)fluoranthenene is C24H16O3.
What is the molecular weight of 12,13-Dihydroxy-10,11-epoxy-10,11,12,13-tetrahydrodibenz(a,e)fluoranthenene?
The molecular weight of 12,13-Dihydroxy-10,11-epoxy-10,11,12,13-tetrahydrodibenz(a,e)fluoranthenene is 352.11 g/mol.
Where can I buy 12,13-Dihydroxy-10,11-epoxy-10,11,12,13-tetrahydrodibenz(a,e)fluoranthenene?
You can request a quote for 12,13-Dihydroxy-10,11-epoxy-10,11,12,13-tetrahydrodibenz(a,e)fluoranthenene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 12,13-Dihydroxy-10,11-epoxy-10,11,12,13-tetrahydrodibenz(a,e)fluoranthenene?
Yes, KEHONG BIO provides custom synthesis services for 12,13-Dihydroxy-10,11-epoxy-10,11,12,13-tetrahydrodibenz(a,e)fluoranthenene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.