trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol
TL;DR: trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol (CAS 37571-88-3) is a chemical compound with molecular formula C20H14O2 and molecular weight 286.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R,5R)-4,5-dihydrobenzo[a]pyrene-4,5-diol
Also Known As: trans-Benzo(a)pyrene-4,5-dihydrodiol, trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol, (4R,5R)-4,5-dihydrobenzo[a]pyrene-4,5-diol, Benzo(a)pyrene-4,5-dihydrodiol, (E)-, trans-4,5-Dihydro-4,5-dihydroxybenzo(a)pyrene
| Molecular Formula | C20H14O2 |
|---|---|
| Molecular Weight | 286.10 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 286.09937 |
| Heavy Atoms | 22 |
| Complexity | 435.0 |
Chemical Identifiers
| CAS Number | 37571-88-3 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)[C@H]([C@@H](C5=CC=CC(=C54)C=C3)O)O |
| InChIKey | OYOQHRXJXXTZII-WOJBJXKFSA-N |
Product Overview
trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol (CAS 37571-88-3), with molecular formula C20H14O2 and molecular weight 286.10 g/mol. IUPAC: (4R,5R)-4,5-dihydrobenzo[a]pyrene-4,5-diol.
Chemical Property Profile of trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol
Property Insights of trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol
The XLogP value of 3.7 indicates that trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.5 Ų, trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol 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 trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol?
The CAS number of trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol is 37571-88-3.
What is the molecular formula of trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol?
The molecular formula of trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol is C20H14O2.
What is the molecular weight of trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol?
The molecular weight of trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol is 286.10 g/mol.
Where can I buy trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol?
You can request a quote for trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol?
Yes, KEHONG BIO provides custom synthesis services for trans-4,5-Dihydrobenzo(a)pyrene-4,5-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.