Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)-
TL;DR: Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)- (CAS 66788-03-2) is a chemical compound with molecular formula C20H16O2 and molecular weight 288.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
9,10,11,12-tetrahydrobenzo[e]pyrene-9,10-diol
Also Known As: B(e)P H4-9,10-Diol, Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)-, 9,10,11,12-tetrahydrobenzo[e]pyrene-9,10-diol, trans-9,10-Dihydroxy-9,10,11,12-tetrahydrobenzo(e)pyrene, Benzo(e)pyrene, 9,10-dihydroxy-9,10,11,12-tetrahydro-, (E)-
| Molecular Formula | C20H16O2 |
|---|---|
| Molecular Weight | 288.12 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 288.11502 |
| Heavy Atoms | 22 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 66788-03-2 |
|---|---|
| SMILES | C1CC2=C(C(C1O)O)C3=CC=CC4=C3C5=C(C=CC=C25)C=C4 |
| InChIKey | UCQYQDPJNXMWST-UHFFFAOYSA-N |
Product Overview
Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)- (CAS 66788-03-2), with molecular formula C20H16O2 and molecular weight 288.12 g/mol. IUPAC: 9,10,11,12-tetrahydrobenzo[e]pyrene-9,10-diol.
Chemical Property Profile of Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)-
Property Insights of Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)-
The XLogP value of 4.0 indicates that Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)- has 2 hydrogen bond donor(s) and 2 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 Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)-?
The CAS number of Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)- is 66788-03-2.
What is the molecular formula of Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)-?
The molecular formula of Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)- is C20H16O2.
What is the molecular weight of Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)-?
The molecular weight of Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)- is 288.12 g/mol.
Where can I buy Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)-?
You can request a quote for Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)-?
Yes, KEHONG BIO provides custom synthesis services for Benzo(e)pyrene, 9,10,11,12-tetrahydro-9,10-dihydroxy-, (E)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.