![1-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid structure](/static/products/8207/82079-70-7.webp)
1-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid
TL;DR: 1-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid (CAS 82079-70-7) is a chemical compound with molecular formula C14H18Br2O8 and molecular weight 471.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3S,4S,5R,6S)-6-[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid
Also Known As: 1-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid, (2S,3S,4S,5R,6S)-6-[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid, 1-O-[(1R,3R)-3-(2,2-Dibromoethen-1-yl)-2,2-dimethylcyclopropane-1-carbonyl]-beta-D-glucopyranuronic acid, beta-D-Glucopyranuronic acid, 1-(3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarboxylate), cis-
| Molecular Formula | C14H18Br2O8 |
|---|---|
| Molecular Weight | 471.94 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 471.93683 |
| Heavy Atoms | 24 |
| Complexity | 559.0 |
Chemical Identifiers
| CAS Number | 82079-70-7 |
|---|---|
| SMILES | CC1([C@H]([C@H]1C(=O)O[C@H]2[C@@H]([C@H]([C@@H]([C@H](O2)C(=O)O)O)O)O)C=C(Br)Br)C |
| InChIKey | STYWOSKAMYSBSP-YLQLNPHPSA-N |
Product Overview
1-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid (CAS 82079-70-7), with molecular formula C14H18Br2O8 and molecular weight 471.94 g/mol. IUPAC: (2S,3S,4S,5R,6S)-6-[(1R,3R)-3-(2,2-dibromoethenyl)-2,2-dimethylcyclopropanecarbonyl]oxy-3,4,5-trihydroxyoxane-2-carboxylic acid.
Chemical Property Profile of 1-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid
Property Insights of 1-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid. Following Lipinski's Rule of Five, 1-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid has 4 hydrogen bond donor(s) and 8 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-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid?
The CAS number of 1-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid is 82079-70-7.
What is the molecular formula of 1-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid?
The molecular formula of 1-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid is C14H18Br2O8.
What is the molecular weight of 1-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid?
The molecular weight of 1-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid is 471.94 g/mol.
Where can I buy 1-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid?
You can request a quote for 1-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid?
Yes, KEHONG BIO provides custom synthesis services for 1-O-[3-(2,2-Dibromoethenyl)-2,2-dimethylcyclopropane-1-carbonyl]hexopyranuronic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.