(1-Acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate
TL;DR: (1-Acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate (CAS 80409-34-3) is a chemical compound with molecular formula C22H19BrO4 and molecular weight 426.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate
Also Known As: (1-acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate, 4-bromo-1,2,3,4-tetrahydrochrysene-1,2-diyl diacetate, cis-1,2-Diacetoxy-4(S)-bromo-1,2,3,4-tetrahydrochrysene, cis-1,2-Diacetyloxy-4(R)-bromo-1,2,3,4-tetrahydrochrysene, 1-(Acetyloxy)-4-bromo-1,2,3,4-tetrahydro-2-chrysenyl acetate #
| Molecular Formula | C22H19BrO4 |
|---|---|
| Molecular Weight | 426.05 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 426.04666 |
| Heavy Atoms | 27 |
| Complexity | 579.0 |
Chemical Identifiers
| CAS Number | 80409-34-3 |
|---|---|
| SMILES | CC(=O)OC1CC(C2=C(C1OC(=O)C)C=CC3=C2C=CC4=CC=CC=C43)Br |
| InChIKey | OHZLSAOJZRQXSC-UHFFFAOYSA-N |
Product Overview
(1-Acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate (CAS 80409-34-3), with molecular formula C22H19BrO4 and molecular weight 426.05 g/mol. IUPAC: (1-acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate.
Chemical Property Profile of (1-Acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate
Property Insights of (1-Acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate
The XLogP value of 4.8 indicates that (1-Acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate 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-Acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (1-Acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate 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-Acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate?
The CAS number of (1-Acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate is 80409-34-3.
What is the molecular formula of (1-Acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate?
The molecular formula of (1-Acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate is C22H19BrO4.
What is the molecular weight of (1-Acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate?
The molecular weight of (1-Acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate is 426.05 g/mol.
Where can I buy (1-Acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate?
You can request a quote for (1-Acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (1-Acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate?
Yes, KEHONG BIO provides custom synthesis services for (1-Acetyloxy-4-bromo-1,2,3,4-tetrahydrochrysen-2-yl) acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.