trans-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthracene
TL;DR: trans-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthracene (CAS 89577-38-8) is a chemical compound with molecular formula C18H13FO2 and molecular weight 280.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3R,4R)-7-fluoro-3,4-dihydrobenzo[a]anthracene-3,4-diol
Also Known As: 7-Fluorobenz(a)anthracene-trans-3,4-dihydrodiol, trans-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthracene, Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-fluoro-, (E)-, (3R,4R)-7-fluoro-3,4-dihydrobenzo[a]anthracene-3,4-diol
| Molecular Formula | C18H13FO2 |
|---|---|
| Molecular Weight | 280.09 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 280.08997 |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
Chemical Identifiers
| CAS Number | 89577-38-8 |
|---|---|
| SMILES | C1=CC=C2C(=C1)C=C3C4=C(C=CC3=C2F)[C@H]([C@@H](C=C4)O)O |
| InChIKey | AYSYSODSLPUONT-SJLPKXTDSA-N |
Product Overview
trans-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthracene (CAS 89577-38-8), with molecular formula C18H13FO2 and molecular weight 280.09 g/mol. IUPAC: (3R,4R)-7-fluoro-3,4-dihydrobenzo[a]anthracene-3,4-diol.
Chemical Property Profile of trans-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthracene
Property Insights of trans-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthracene
The XLogP value of 3.1 indicates that trans-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthracene 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-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthracene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, trans-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthracene has 2 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 trans-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthracene?
The CAS number of trans-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthracene is 89577-38-8.
What is the molecular formula of trans-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthracene?
The molecular formula of trans-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthracene is C18H13FO2.
What is the molecular weight of trans-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthracene?
The molecular weight of trans-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthracene is 280.09 g/mol.
Where can I buy trans-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthracene?
You can request a quote for trans-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthracene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for trans-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthracene?
Yes, KEHONG BIO provides custom synthesis services for trans-3,4-Dihydroxy-3,4-dihydro-7-fluorobenz(a)anthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.