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4,6-Dihydrobenzo[pqr]tetraphene-4,5,5a,6(5h)-tetrol
TL;DR: 4,6-Dihydrobenzo[pqr]tetraphene-4,5,5a,6(5h)-tetrol (CAS 67112-57-6) is a chemical compound with molecular formula C20H16O4 and molecular weight 320.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5,6-dihydro-4H-benzo[a]pyrene-4,5,5a,6-tetrol
Also Known As: (R)-4-Amino-3-p-tolylbutanoicacid, (S)-4-Amino-3-p-tolylbutanoic acid, 4,6-dihydrobenzo[pqr]tetraphene-4,5,5a,6(5h)-tetrol, 5,6-dihydro-4H-benzo[a]pyrene-4,5,5a,6-tetrol, Benzo(a)pyrene-4,5,5a,6(5H)-tetrol, 4,6-dihydro-
| Molecular Formula | C20H16O4 |
|---|---|
| Molecular Weight | 320.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 80.9 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 320.10486 |
| Heavy Atoms | 24 |
| Complexity | 510.0 |
Chemical Identifiers
| CAS Number | 67112-57-6 |
|---|---|
| SMILES | C1=CC=C2C3=C4C5=C(C=CC=C5C(C(C4(C(C2=C1)O)O)O)O)C=C3 |
| InChIKey | WFIPFBOSDFGWAQ-UHFFFAOYSA-N |
Product Overview
4,6-Dihydrobenzo[pqr]tetraphene-4,5,5a,6(5h)-tetrol (CAS 67112-57-6), with molecular formula C20H16O4 and molecular weight 320.10 g/mol. IUPAC: 5,6-dihydro-4H-benzo[a]pyrene-4,5,5a,6-tetrol.
Chemical Property Profile of 4,6-Dihydrobenzo[pqr]tetraphene-4,5,5a,6(5h)-tetrol
Property Insights of 4,6-Dihydrobenzo[pqr]tetraphene-4,5,5a,6(5h)-tetrol
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4,6-Dihydrobenzo[pqr]tetraphene-4,5,5a,6(5h)-tetrol. The TPSA of 80.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,6-Dihydrobenzo[pqr]tetraphene-4,5,5a,6(5h)-tetrol. Following Lipinski's Rule of Five, 4,6-Dihydrobenzo[pqr]tetraphene-4,5,5a,6(5h)-tetrol has 4 hydrogen bond donor(s) and 4 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 4,6-Dihydrobenzo[pqr]tetraphene-4,5,5a,6(5h)-tetrol?
The CAS number of 4,6-Dihydrobenzo[pqr]tetraphene-4,5,5a,6(5h)-tetrol is 67112-57-6.
What is the molecular formula of 4,6-Dihydrobenzo[pqr]tetraphene-4,5,5a,6(5h)-tetrol?
The molecular formula of 4,6-Dihydrobenzo[pqr]tetraphene-4,5,5a,6(5h)-tetrol is C20H16O4.
What is the molecular weight of 4,6-Dihydrobenzo[pqr]tetraphene-4,5,5a,6(5h)-tetrol?
The molecular weight of 4,6-Dihydrobenzo[pqr]tetraphene-4,5,5a,6(5h)-tetrol is 320.10 g/mol.
Where can I buy 4,6-Dihydrobenzo[pqr]tetraphene-4,5,5a,6(5h)-tetrol?
You can request a quote for 4,6-Dihydrobenzo[pqr]tetraphene-4,5,5a,6(5h)-tetrol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,6-Dihydrobenzo[pqr]tetraphene-4,5,5a,6(5h)-tetrol?
Yes, KEHONG BIO provides custom synthesis services for 4,6-Dihydrobenzo[pqr]tetraphene-4,5,5a,6(5h)-tetrol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.