7,8-Dihydrobenzo(a)pyrene-3,7,8-triol
TL;DR: 7,8-Dihydrobenzo(a)pyrene-3,7,8-triol (CAS 99346-47-1) 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.
7,8-dihydrobenzo[a]pyrene-3,7,8-triol
Also Known As: 7,8-Dihydrobenzo(a)pyrene-3,7,8-triol, 7,8-dihydrobenzo[a]pyrene-3,7,8-triol, 7,8-dihydrobenzo[pqr]tetraphene-3,7,8-triol, trans-3,7,8-Trihydroxy-7,8-dihydrobenzo(a)pyrene, 3-hydroxy-7,8-dihydro-7,8-dihydroxybenzo pyrene
| Molecular Formula | C20H14O3 |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 3.5 |
| 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 | 99346-47-1 |
|---|---|
| SMILES | C1=CC2=C(C=C3C=CC4=C(C=CC5=C4C3=C2C=C5)O)C(C1O)O |
| InChIKey | OOAWJGIFGOEOFI-UHFFFAOYSA-N |
Product Overview
7,8-Dihydrobenzo(a)pyrene-3,7,8-triol (CAS 99346-47-1), with molecular formula C20H14O3 and molecular weight 302.09 g/mol. IUPAC: 7,8-dihydrobenzo[a]pyrene-3,7,8-triol.
Chemical Property Profile of 7,8-Dihydrobenzo(a)pyrene-3,7,8-triol
Property Insights of 7,8-Dihydrobenzo(a)pyrene-3,7,8-triol
The XLogP value of 3.5 indicates that 7,8-Dihydrobenzo(a)pyrene-3,7,8-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 7,8-Dihydrobenzo(a)pyrene-3,7,8-triol. Following Lipinski's Rule of Five, 7,8-Dihydrobenzo(a)pyrene-3,7,8-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 7,8-Dihydrobenzo(a)pyrene-3,7,8-triol?
The CAS number of 7,8-Dihydrobenzo(a)pyrene-3,7,8-triol is 99346-47-1.
What is the molecular formula of 7,8-Dihydrobenzo(a)pyrene-3,7,8-triol?
The molecular formula of 7,8-Dihydrobenzo(a)pyrene-3,7,8-triol is C20H14O3.
What is the molecular weight of 7,8-Dihydrobenzo(a)pyrene-3,7,8-triol?
The molecular weight of 7,8-Dihydrobenzo(a)pyrene-3,7,8-triol is 302.09 g/mol.
Where can I buy 7,8-Dihydrobenzo(a)pyrene-3,7,8-triol?
You can request a quote for 7,8-Dihydrobenzo(a)pyrene-3,7,8-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7,8-Dihydrobenzo(a)pyrene-3,7,8-triol?
Yes, KEHONG BIO provides custom synthesis services for 7,8-Dihydrobenzo(a)pyrene-3,7,8-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.