BENZO(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis-
TL;DR: BENZO(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis- (CAS 51689-89-5) 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,5S)-4,5-dihydrobenzo[a]pyrene-4,5-diol
Also Known As: cis-Benzo(a)pyrene-4,5-dihydrodiol, Benzo[a]pyrene-cis-4,5-dihydrodiol, Benzo(a)pyrene-cis-4,5-dihydrodiol, BENZO(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis-, c0957
| 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 | 51689-89-5 |
|---|---|
| SMILES | C1=CC=C2C3=C4C(=CC2=C1)[C@@H]([C@@H](C5=CC=CC(=C54)C=C3)O)O |
| InChIKey | OYOQHRXJXXTZII-UXHICEINSA-N |
Product Overview
BENZO(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis- (CAS 51689-89-5), with molecular formula C20H14O2 and molecular weight 286.10 g/mol. IUPAC: (4R,5S)-4,5-dihydrobenzo[a]pyrene-4,5-diol.
Chemical Property Profile of BENZO(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis-
Property Insights of BENZO(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis-
The XLogP value of 3.7 indicates that BENZO(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis- 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(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, BENZO(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis- 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(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis-?
The CAS number of BENZO(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis- is 51689-89-5.
What is the molecular formula of BENZO(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis-?
The molecular formula of BENZO(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis- is C20H14O2.
What is the molecular weight of BENZO(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis-?
The molecular weight of BENZO(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis- is 286.10 g/mol.
Where can I buy BENZO(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis-?
You can request a quote for BENZO(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for BENZO(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis-?
Yes, KEHONG BIO provides custom synthesis services for BENZO(a)PYRENE-4,5-DIOL, 4,5-DIHYDRO-, cis- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.