2,6-Dibromospirost-4-en-3-one
TL;DR: 2,6-Dibromospirost-4-en-3-one (CAS 117572-30-2) is a chemical compound with molecular formula C27H38Br2O3 and molecular weight 568.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1S,2S,4S,5'R,7S,8R,9S,12S,13R,15R,19R)-15,19-dibromo-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]-16-one
Also Known As: 2,6-Dibromospirost-4-en-3-one, (22xi,25R)-2alpha,6beta-Dibromospirost-4-en-3-one, 2,6-Dibromospirost-4-en-3-one (2alpha,6beta,25R)-, (1S,2S,4S,5'R,7S,8R,9S,12S,13R,15R,19R)-15,19-Dibromo-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]-16-one
| Molecular Formula | C27H38Br2O3 |
|---|---|
| Molecular Weight | 568.12 g/mol |
| LogP | 6.6689 |
| Topological Polar Surface Area | 35.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 568.1188 |
| Heavy Atoms | 32 |
| Complexity | 847.83954 |
Chemical Identifiers
| CAS Number | 117572-30-2 |
|---|---|
| SMILES | C[C@@H]1CCC2([C@H]([C@H]3[C@@H](O2)C[C@@H]4[C@@]3(CC[C@H]5[C@H]4C[C@H](C6=CC(=O)[C@@H](C[C@]56C)Br)Br)C)C)OC1 |
Product Overview
2,6-Dibromospirost-4-en-3-one (CAS 117572-30-2), with molecular formula C27H38Br2O3 and molecular weight 568.12 g/mol. IUPAC: (1S,2S,4S,5'R,7S,8R,9S,12S,13R,15R,19R)-15,19-dibromo-5',7,9,13-tetramethylspiro[5-oxapentacyclo[10.8.0.02,9.04,8.013,18]icos-17-ene-6,2'-oxane]-16-one.
Chemical Property Profile of 2,6-Dibromospirost-4-en-3-one
Property Insights of 2,6-Dibromospirost-4-en-3-one
The XLogP value of 6.6689 indicates that 2,6-Dibromospirost-4-en-3-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 35.53 Ų, 2,6-Dibromospirost-4-en-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,6-Dibromospirost-4-en-3-one has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,6-Dibromospirost-4-en-3-one?
The CAS number of 2,6-Dibromospirost-4-en-3-one is 117572-30-2.
What is the molecular formula of 2,6-Dibromospirost-4-en-3-one?
The molecular formula of 2,6-Dibromospirost-4-en-3-one is C27H38Br2O3.
What is the molecular weight of 2,6-Dibromospirost-4-en-3-one?
The molecular weight of 2,6-Dibromospirost-4-en-3-one is 568.12 g/mol.
Where can I buy 2,6-Dibromospirost-4-en-3-one?
You can request a quote for 2,6-Dibromospirost-4-en-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,6-Dibromospirost-4-en-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2,6-Dibromospirost-4-en-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.