trans-3,4-Dihydroxy-3,4-dihydro-7-chlorobenz(a)anthracene
TL;DR: trans-3,4-Dihydroxy-3,4-dihydro-7-chlorobenz(a)anthracene (CAS 134109-03-8) is a chemical compound with molecular formula C18H13ClO2 and molecular weight 296.0604 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(3S,4S)-7-chloro-3,4-dihydrobenzo[a]anthracene-3,4-diol
Also Known As: 7-Chlorobenz(a)anthracene 3,4-dihydrodiol, 7-Chlorobenz(a)anthracene-trans-3,4-dihydrodiol, trans-3,4-Dihydroxy-3,4-dihydro-7-chlorobenz(a)anthracene, (3S,4S)-7-chloro-3,4-dihydrotetraphene-3,4-diol, Benz(a)anthracene-3,4-diol, 3,4-dihydro-7-chloro-, trans-
Technical Specifications
| Molecular Formula | C18H13ClO2 |
| Molecular Weight | 296.0604 g/mol |
| XLogP | 3.6 |
| Topological Polar Surface Area (TPSA) | 40.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 296.0604 Da |
| Heavy Atoms | 21 |
| Complexity | 423.0 |
| SMILES | C1=CC=C2C(=C1)C=C3C4=C(C=CC3=C2Cl)[C@@H]([C@H](C=C4)O)O |
| InChIKey | SCMDZPRUOBLVPI-WMZOPIPTSA-N |
Chemical Property Profile of trans-3,4-Dihydroxy-3,4-dihydro-7-chlorobenz(a)anthracene
Property Insights of trans-3,4-Dihydroxy-3,4-dihydro-7-chlorobenz(a)anthracene
The XLogP value of 3.6 indicates that trans-3,4-Dihydroxy-3,4-dihydro-7-chlorobenz(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-chlorobenz(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-chlorobenz(a)anthracene 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
What is the CAS number of trans-3,4-Dihydroxy-3,4-dihydro-7-chlorobenz(a)anthracene?
The CAS number of trans-3,4-Dihydroxy-3,4-dihydro-7-chlorobenz(a)anthracene is 134109-03-8.
What is the molecular formula of trans-3,4-Dihydroxy-3,4-dihydro-7-chlorobenz(a)anthracene?
The molecular formula of trans-3,4-Dihydroxy-3,4-dihydro-7-chlorobenz(a)anthracene is C18H13ClO2.
What is the molecular weight of trans-3,4-Dihydroxy-3,4-dihydro-7-chlorobenz(a)anthracene?
The molecular weight of trans-3,4-Dihydroxy-3,4-dihydro-7-chlorobenz(a)anthracene is 296.0604 g/mol.
Where can I buy trans-3,4-Dihydroxy-3,4-dihydro-7-chlorobenz(a)anthracene?
You can request a quote for trans-3,4-Dihydroxy-3,4-dihydro-7-chlorobenz(a)anthracene directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for trans-3,4-Dihydroxy-3,4-dihydro-7-chlorobenz(a)anthracene?
Yes, CoreyChem provides custom synthesis services for trans-3,4-Dihydroxy-3,4-dihydro-7-chlorobenz(a)anthracene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.