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(7s,8r)-7,8-Dihydrobenzo[pqr]tetraphene-7,8,9-triol
TL;DR: (7s,8r)-7,8-Dihydrobenzo[pqr]tetraphene-7,8,9-triol (CAS 8024-54-2) 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.
(7S,8R)-7,8-dihydrobenzo[a]pyrene-7,8,9-triol
Also Known As: KST-1A8311, (7s,8r)-7,8-dihydrobenzo[pqr]tetraphene-7,8,9-triol, Benzo(a)pyrene-7,8,9-triol, 7,8-dihydro-, trans-, 7,8-Dihydrobenzo[pqr]tetraphene-7,8,9-triol, (7S,8R)-7,8-dihydrobenzo[a]pyrene-7,8,9-triol
| Molecular Formula | C20H14O3 |
|---|---|
| Molecular Weight | 302.09 g/mol |
| LogP | 3.3 |
| 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 | 515.0 |
Chemical Identifiers
| CAS Number | 8024-54-2 |
|---|---|
| SMILES | C1=CC2=C3C(=C1)C=CC4=C3C(=CC5=C4C=C([C@@H]([C@H]5O)O)O)C=C2 |
| InChIKey | WAMAFMBEEYFMLZ-PMACEKPBSA-N |
Product Overview
(7s,8r)-7,8-Dihydrobenzo[pqr]tetraphene-7,8,9-triol (CAS 8024-54-2), with molecular formula C20H14O3 and molecular weight 302.09 g/mol. IUPAC: (7S,8R)-7,8-dihydrobenzo[a]pyrene-7,8,9-triol.
Chemical Property Profile of (7s,8r)-7,8-Dihydrobenzo[pqr]tetraphene-7,8,9-triol
Property Insights of (7s,8r)-7,8-Dihydrobenzo[pqr]tetraphene-7,8,9-triol
The XLogP value of 3.3 indicates that (7s,8r)-7,8-Dihydrobenzo[pqr]tetraphene-7,8,9-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 (7s,8r)-7,8-Dihydrobenzo[pqr]tetraphene-7,8,9-triol. Following Lipinski's Rule of Five, (7s,8r)-7,8-Dihydrobenzo[pqr]tetraphene-7,8,9-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 (7s,8r)-7,8-Dihydrobenzo[pqr]tetraphene-7,8,9-triol?
The CAS number of (7s,8r)-7,8-Dihydrobenzo[pqr]tetraphene-7,8,9-triol is 8024-54-2.
What is the molecular formula of (7s,8r)-7,8-Dihydrobenzo[pqr]tetraphene-7,8,9-triol?
The molecular formula of (7s,8r)-7,8-Dihydrobenzo[pqr]tetraphene-7,8,9-triol is C20H14O3.
What is the molecular weight of (7s,8r)-7,8-Dihydrobenzo[pqr]tetraphene-7,8,9-triol?
The molecular weight of (7s,8r)-7,8-Dihydrobenzo[pqr]tetraphene-7,8,9-triol is 302.09 g/mol.
Where can I buy (7s,8r)-7,8-Dihydrobenzo[pqr]tetraphene-7,8,9-triol?
You can request a quote for (7s,8r)-7,8-Dihydrobenzo[pqr]tetraphene-7,8,9-triol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (7s,8r)-7,8-Dihydrobenzo[pqr]tetraphene-7,8,9-triol?
Yes, KEHONG BIO provides custom synthesis services for (7s,8r)-7,8-Dihydrobenzo[pqr]tetraphene-7,8,9-triol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.