3,4-Phenanthrenediol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3alpha,4beta)-
TL;DR: 3,4-Phenanthrenediol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3alpha,4beta)- (CAS 60967-98-8) 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.
[(1R,3S,4S)-4-acetyloxy-1-bromo-1,2,3,4-tetrahydrophenanthren-3-yl] acetate
Also Known As: 3,4-Phenanthrenediol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3alpha,4beta)-, 1-Bromo-1,2,3,4-tetrahydrophenanthrene-3,4-diyl diacetate, (1R,3S,4S)-1-bromo-1,2,3,4-tetrahydrophenanthrene-3,4-diyl diacetate, [(1R,3S,4S)-4-acetyloxy-1-bromo-1,2,3,4-tetrahydrophenanthren-3-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 | 60967-98-8 |
|---|---|
| SMILES | CC(=O)O[C@H]1C[C@H](C2=C([C@@H]1OC(=O)C)C3=CC=CC=C3C=C2)Br |
| InChIKey | RBVNBGNCFQVTHC-SOLBZPMBSA-N |
Product Overview
3,4-Phenanthrenediol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3alpha,4beta)- (CAS 60967-98-8), with molecular formula C18H17BrO4 and molecular weight 376.03 g/mol. IUPAC: [(1R,3S,4S)-4-acetyloxy-1-bromo-1,2,3,4-tetrahydrophenanthren-3-yl] acetate.
Chemical Property Profile of 3,4-Phenanthrenediol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3alpha,4beta)-
Property Insights of 3,4-Phenanthrenediol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3alpha,4beta)-
The XLogP value of 3.6 indicates that 3,4-Phenanthrenediol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3alpha,4beta)- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3,4-Phenanthrenediol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3alpha,4beta)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Phenanthrenediol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3alpha,4beta)- 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 3,4-Phenanthrenediol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3alpha,4beta)-?
The CAS number of 3,4-Phenanthrenediol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3alpha,4beta)- is 60967-98-8.
What is the molecular formula of 3,4-Phenanthrenediol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3alpha,4beta)-?
The molecular formula of 3,4-Phenanthrenediol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3alpha,4beta)- is C18H17BrO4.
What is the molecular weight of 3,4-Phenanthrenediol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3alpha,4beta)-?
The molecular weight of 3,4-Phenanthrenediol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3alpha,4beta)- is 376.03 g/mol.
Where can I buy 3,4-Phenanthrenediol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3alpha,4beta)-?
You can request a quote for 3,4-Phenanthrenediol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3alpha,4beta)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Phenanthrenediol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3alpha,4beta)-?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Phenanthrenediol, 1-bromo-1,2,3,4-tetrahydro-, diacetate, (1alpha,3alpha,4beta)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.