4,5-Dihydrobenzo(a)pyrene-4,5,9-triol
TL;DR: 4,5-Dihydrobenzo(a)pyrene-4,5,9-triol (CAS 77774-37-9) 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.
4,5-dihydrobenzo[a]pyrene-4,5,9-triol
Also Known As: 4,5-Dihydrobenzo(a)pyrene-4,5,9-triol, 4,5-dihydrobenzo[a]pyrene-4,5,9-triol, 4,5-dihydrobenzo[pqr]tetraphene-4,5,9-triol
| Molecular Formula | C20H14O3 |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 3.4 |
| 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 | 466.0 |
Chemical Identifiers
| CAS Number | 77774-37-9 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C(C(C4=C3C(=C5C=C(C=CC5=C4)O)C=C2)O)O |
| InChIKey | FANHOQORSNMDMX-UHFFFAOYSA-N |
Product Overview
4,5-Dihydrobenzo(a)pyrene-4,5,9-triol (CAS 77774-37-9), with molecular formula C20H14O3 and molecular weight 302.09 g/mol. IUPAC: 4,5-dihydrobenzo[a]pyrene-4,5,9-triol.
Chemical Property Profile of 4,5-Dihydrobenzo(a)pyrene-4,5,9-triol
Property Insights of 4,5-Dihydrobenzo(a)pyrene-4,5,9-triol
The XLogP value of 3.4 indicates that 4,5-Dihydrobenzo(a)pyrene-4,5,9-triol 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 4,5-Dihydrobenzo(a)pyrene-4,5,9-triol. Following Lipinski's Rule of Five, 4,5-Dihydrobenzo(a)pyrene-4,5,9-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 4,5-Dihydrobenzo(a)pyrene-4,5,9-triol?
The CAS number of 4,5-Dihydrobenzo(a)pyrene-4,5,9-triol is 77774-37-9.
What is the molecular formula of 4,5-Dihydrobenzo(a)pyrene-4,5,9-triol?
The molecular formula of 4,5-Dihydrobenzo(a)pyrene-4,5,9-triol is C20H14O3.
What is the molecular weight of 4,5-Dihydrobenzo(a)pyrene-4,5,9-triol?
The molecular weight of 4,5-Dihydrobenzo(a)pyrene-4,5,9-triol is 302.09 g/mol.
Where can I buy 4,5-Dihydrobenzo(a)pyrene-4,5,9-triol?
You can request a quote for 4,5-Dihydrobenzo(a)pyrene-4,5,9-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,5-Dihydrobenzo(a)pyrene-4,5,9-triol?
Yes, KEHONG BIO provides custom synthesis services for 4,5-Dihydrobenzo(a)pyrene-4,5,9-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.