Acetobromo-alpha-D-glucuronic acid methyl ester
TL;DR: Acetobromo-alpha-D-glucuronic acid methyl ester (CAS 21085-72-3) is a chemical compound with molecular formula C13H17BrO9 and molecular weight 396.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxane-2-carboxylate
Also Known As: Acetobromo-alpha-D-glucuronic acid methyl ester, Methyl acetobromo-alpha-D-glucuronate, zlchem 1315, (2R,3R,4S,5S,6S)-2-Bromo-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate, Methyl
| Molecular Formula | C13H17BrO9 |
|---|---|
| Molecular Weight | 396.01 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 396.00558 |
| Heavy Atoms | 23 |
| Complexity | 492.0 |
Chemical Identifiers
| CAS Number | 21085-72-3 |
|---|---|
| SMILES | CC(=O)O[C@H]1[C@@H]([C@H](O[C@@H]([C@@H]1OC(=O)C)Br)C(=O)OC)OC(=O)C |
| InChIKey | GWTNLHGTLIBHHZ-SVNGYHJRSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Acetobromo-alpha-D-glucuronic acid methyl ester (CAS 21085-72-3), with molecular formula C13H17BrO9 and molecular weight 396.01 g/mol. IUPAC: methyl (2S,3S,4S,5R,6R)-3,4,5-triacetyloxy-6-bromooxane-2-carboxylate.
Chemical Property Profile of Acetobromo-alpha-D-glucuronic acid methyl ester
Property Insights of Acetobromo-alpha-D-glucuronic acid methyl ester
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetobromo-alpha-D-glucuronic acid methyl ester. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetobromo-alpha-D-glucuronic acid methyl ester. Following Lipinski's Rule of Five, Acetobromo-alpha-D-glucuronic acid methyl ester has 0 hydrogen bond donor(s) and 9 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 Acetobromo-alpha-D-glucuronic acid methyl ester?
The CAS number of Acetobromo-alpha-D-glucuronic acid methyl ester is 21085-72-3.
What is the molecular formula of Acetobromo-alpha-D-glucuronic acid methyl ester?
The molecular formula of Acetobromo-alpha-D-glucuronic acid methyl ester is C13H17BrO9.
What is the molecular weight of Acetobromo-alpha-D-glucuronic acid methyl ester?
The molecular weight of Acetobromo-alpha-D-glucuronic acid methyl ester is 396.01 g/mol.
Where can I buy Acetobromo-alpha-D-glucuronic acid methyl ester?
You can request a quote for Acetobromo-alpha-D-glucuronic acid methyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetobromo-alpha-D-glucuronic acid methyl ester?
Yes, KEHONG BIO provides custom synthesis services for Acetobromo-alpha-D-glucuronic acid methyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.