1,2-Phenanthrenediol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)-
TL;DR: 1,2-Phenanthrenediol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)- (CAS 60967-94-4) is a chemical compound with molecular formula C18H17BrO4 and molecular weight 376.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(1S,2S,4S)-1-acetyloxy-4-bromo-1,2,3,4-tetrahydrophenanthren-2-yl] acetate
Also Known As: 1,2-Phenanthrenediol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)-, 4-Bromo-1,2,3,4-tetrahydro-1,2-phenanthrenediol diacetate, (1alpha,2beta,4alpha)-, (1S,2S,4S)-4-Bromo-1,2,3,4-tetrahydrophenanthrene-1,2-diyl diacetate, [(1S,2S,4S)-1-acetyloxy-4-bromo-1,2,3,4-tetrahydrophenanthren-2-yl] acetate
| Molecular Formula | C18H17BrO4 |
|---|---|
| Molecular Weight | 376.03 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 376.031 |
| Heavy Atoms | 23 |
| Complexity | 466.0 |
Chemical Identifiers
| CAS Number | 60967-94-4 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@@H](C2=C([C@@H]1OC(=O)C)C=CC3=CC=CC=C32)Br |
| InChIKey | VDLCCENVLNXFTL-BQFCYCMXSA-N |
Product Overview
1,2-Phenanthrenediol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)- (CAS 60967-94-4), with molecular formula C18H17BrO4 and molecular weight 376.03 g/mol. IUPAC: [(1S,2S,4S)-1-acetyloxy-4-bromo-1,2,3,4-tetrahydrophenanthren-2-yl] acetate.
Chemical Property Profile of 1,2-Phenanthrenediol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)-
Property Insights of 1,2-Phenanthrenediol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)-
The XLogP value of 3.6 indicates that 1,2-Phenanthrenediol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,2-Phenanthrenediol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Phenanthrenediol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)- has 0 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 1,2-Phenanthrenediol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)-?
The CAS number of 1,2-Phenanthrenediol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)- is 60967-94-4.
What is the molecular formula of 1,2-Phenanthrenediol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)-?
The molecular formula of 1,2-Phenanthrenediol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)- is C18H17BrO4.
What is the molecular weight of 1,2-Phenanthrenediol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)-?
The molecular weight of 1,2-Phenanthrenediol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)- is 376.03 g/mol.
Where can I buy 1,2-Phenanthrenediol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)-?
You can request a quote for 1,2-Phenanthrenediol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Phenanthrenediol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)-?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Phenanthrenediol, 4-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,2beta,4alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.