trans-5,6-Dihydrobenz(a)anthracene-5,6-diol
TL;DR: trans-5,6-Dihydrobenz(a)anthracene-5,6-diol (CAS 3719-37-7) is a chemical compound with molecular formula C18H14O2 and molecular weight 262.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,6S)-5,6-dihydrobenzo[c]anthracene-5,6-diol
Also Known As: BA 5,6-Dihydrodiol, BA-5,6-trans-Dihydrodiol, Benz(a)anthracene-5,6-trans-dihydrodiol, trans-5,6-Dihydrobenz(a)anthracene-5,6-diol, (5S,6S)-5,6-dihydrotetraphene-5,6-diol
| Molecular Formula | C18H14O2 |
|---|---|
| Molecular Weight | 262.10 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 262.09937 |
| Heavy Atoms | 20 |
| Complexity | 355.0 |
Chemical Identifiers
| CAS Number | 3719-37-7 |
|---|---|
| SMILES | C1=CC=C2C=C3C4=CC=CC=C4[C@@H]([C@H](C3=CC2=C1)O)O |
| InChIKey | DCXCOTLBZGXMOH-ROUUACIJSA-N |
Product Overview
trans-5,6-Dihydrobenz(a)anthracene-5,6-diol (CAS 3719-37-7), with molecular formula C18H14O2 and molecular weight 262.10 g/mol. IUPAC: (5S,6S)-5,6-dihydrobenzo[c]anthracene-5,6-diol.
Chemical Property Profile of trans-5,6-Dihydrobenz(a)anthracene-5,6-diol
Property Insights of trans-5,6-Dihydrobenz(a)anthracene-5,6-diol
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for trans-5,6-Dihydrobenz(a)anthracene-5,6-diol. With a topological polar surface area (TPSA) of 40.5 Ų, trans-5,6-Dihydrobenz(a)anthracene-5,6-diol exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-5,6-Dihydrobenz(a)anthracene-5,6-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-5,6-Dihydrobenz(a)anthracene-5,6-diol?
The CAS number of trans-5,6-Dihydrobenz(a)anthracene-5,6-diol is 3719-37-7.
What is the molecular formula of trans-5,6-Dihydrobenz(a)anthracene-5,6-diol?
The molecular formula of trans-5,6-Dihydrobenz(a)anthracene-5,6-diol is C18H14O2.
What is the molecular weight of trans-5,6-Dihydrobenz(a)anthracene-5,6-diol?
The molecular weight of trans-5,6-Dihydrobenz(a)anthracene-5,6-diol is 262.10 g/mol.
Where can I buy trans-5,6-Dihydrobenz(a)anthracene-5,6-diol?
You can request a quote for trans-5,6-Dihydrobenz(a)anthracene-5,6-diol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-5,6-Dihydrobenz(a)anthracene-5,6-diol?
Yes, KEHONG BIO provides custom synthesis services for trans-5,6-Dihydrobenz(a)anthracene-5,6-diol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.