9,10-Dihydro-6,9,10-trihydroxybenzo(b)fluoranthene
TL;DR: 9,10-Dihydro-6,9,10-trihydroxybenzo(b)fluoranthene (CAS 114451-05-7) is a chemical compound with molecular formula C20H14O3 and molecular weight 302.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(16S,17S)-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8,10,12(20),13(18),14-nonaene-4,16,17-triol
Also Known As: 2,3-Dichlormuconsaeure, DH-6,9,10-Thbf, trans-9,10-Dihydro-6,9,10-trihydroxyB(b)F, 9,10-Dihydro-6,9,10-trihydroxybenzo(b)fluoranthene, 9,10-Dihydrobenzo[e]acephenanthrylene-6,9,10-triol
| Molecular Formula | C20H14O3 |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 60.7 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 302.0943 |
| Heavy Atoms | 23 |
| Complexity | 503.0 |
Chemical Identifiers
| CAS Number | 114451-05-7 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C4=C(C3=CC5=C2C=C[C@@H]([C@H]5O)O)C=C(C=C4)O |
| InChIKey | JJJOHZHXXPAIDI-ICSRJNTNSA-N |
Product Overview
9,10-Dihydro-6,9,10-trihydroxybenzo(b)fluoranthene (CAS 114451-05-7), with molecular formula C20H14O3 and molecular weight 302.09 g/mol. IUPAC: (16S,17S)-pentacyclo[10.7.1.02,7.08,20.013,18]icosa-1(19),2(7),3,5,8,10,12(20),13(18),14-nonaene-4,16,17-triol.
Chemical Property Profile of 9,10-Dihydro-6,9,10-trihydroxybenzo(b)fluoranthene
Property Insights of 9,10-Dihydro-6,9,10-trihydroxybenzo(b)fluoranthene
The XLogP value of 3.0 indicates that 9,10-Dihydro-6,9,10-trihydroxybenzo(b)fluoranthene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 9,10-Dihydro-6,9,10-trihydroxybenzo(b)fluoranthene. Following Lipinski's Rule of Five, 9,10-Dihydro-6,9,10-trihydroxybenzo(b)fluoranthene 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 9,10-Dihydro-6,9,10-trihydroxybenzo(b)fluoranthene?
The CAS number of 9,10-Dihydro-6,9,10-trihydroxybenzo(b)fluoranthene is 114451-05-7.
What is the molecular formula of 9,10-Dihydro-6,9,10-trihydroxybenzo(b)fluoranthene?
The molecular formula of 9,10-Dihydro-6,9,10-trihydroxybenzo(b)fluoranthene is C20H14O3.
What is the molecular weight of 9,10-Dihydro-6,9,10-trihydroxybenzo(b)fluoranthene?
The molecular weight of 9,10-Dihydro-6,9,10-trihydroxybenzo(b)fluoranthene is 302.09 g/mol.
Where can I buy 9,10-Dihydro-6,9,10-trihydroxybenzo(b)fluoranthene?
You can request a quote for 9,10-Dihydro-6,9,10-trihydroxybenzo(b)fluoranthene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9,10-Dihydro-6,9,10-trihydroxybenzo(b)fluoranthene?
Yes, KEHONG BIO provides custom synthesis services for 9,10-Dihydro-6,9,10-trihydroxybenzo(b)fluoranthene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.