trans-1,2-Dihydroindeno(1,2,3-cd)pyrene-1,2,9-triol
TL;DR: trans-1,2-Dihydroindeno(1,2,3-cd)pyrene-1,2,9-triol (CAS 99520-62-4) is a chemical compound with molecular formula C22H14O3 and molecular weight 326.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(9R,10R)-hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),11(20),12,14(19),15,17-decaene-3,9,10-triol
Also Known As: trans-1,2-Dihydroindeno(1,2,3-cd)pyrene-1,2,9-triol, 11,12-Dihydroindeno[1,2,3-cd]pyrene-7,11,12-triol, Indeno(1,2,3-cd)pyrene-1,2,9-triol, 1,2-dihydro-, trans-, (11R,12R)-11,12-dihydroindeno[1,2,3-cd]pyrene-7,11,12-triol
| Molecular Formula | C22H14O3 |
|---|---|
| Molecular Weight | 326.09 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 326.0943 |
| Heavy Atoms | 25 |
| Complexity | 664.0 |
Chemical Identifiers
| CAS Number | 99520-62-4 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=C4C5=C(C=CC=C5O)C6=C4C3=C(C=C2)[C@H]([C@@H]6O)O |
| InChIKey | DXOLKGKTRCNGAM-FGZHOGPDSA-N |
Product Overview
trans-1,2-Dihydroindeno(1,2,3-cd)pyrene-1,2,9-triol (CAS 99520-62-4), with molecular formula C22H14O3 and molecular weight 326.09 g/mol. IUPAC: (9R,10R)-hexacyclo[16.3.1.02,7.08,21.011,20.014,19]docosa-1(22),2(7),3,5,8(21),11(20),12,14(19),15,17-decaene-3,9,10-triol.
Chemical Property Profile of trans-1,2-Dihydroindeno(1,2,3-cd)pyrene-1,2,9-triol
Property Insights of trans-1,2-Dihydroindeno(1,2,3-cd)pyrene-1,2,9-triol
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-1,2-Dihydroindeno(1,2,3-cd)pyrene-1,2,9-triol. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for trans-1,2-Dihydroindeno(1,2,3-cd)pyrene-1,2,9-triol. Following Lipinski's Rule of Five, trans-1,2-Dihydroindeno(1,2,3-cd)pyrene-1,2,9-triol has 3 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 trans-1,2-Dihydroindeno(1,2,3-cd)pyrene-1,2,9-triol?
The CAS number of trans-1,2-Dihydroindeno(1,2,3-cd)pyrene-1,2,9-triol is 99520-62-4.
What is the molecular formula of trans-1,2-Dihydroindeno(1,2,3-cd)pyrene-1,2,9-triol?
The molecular formula of trans-1,2-Dihydroindeno(1,2,3-cd)pyrene-1,2,9-triol is C22H14O3.
What is the molecular weight of trans-1,2-Dihydroindeno(1,2,3-cd)pyrene-1,2,9-triol?
The molecular weight of trans-1,2-Dihydroindeno(1,2,3-cd)pyrene-1,2,9-triol is 326.09 g/mol.
Where can I buy trans-1,2-Dihydroindeno(1,2,3-cd)pyrene-1,2,9-triol?
You can request a quote for trans-1,2-Dihydroindeno(1,2,3-cd)pyrene-1,2,9-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-1,2-Dihydroindeno(1,2,3-cd)pyrene-1,2,9-triol?
Yes, KEHONG BIO provides custom synthesis services for trans-1,2-Dihydroindeno(1,2,3-cd)pyrene-1,2,9-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.