methyl 3,4,5-triacetoxy-6-bromo-tetrahydro-2H-pyran-2-carboxylate
TL;DR: methyl 3,4,5-triacetoxy-6-bromo-tetrahydro-2H-pyran-2-carboxylate (CAS 6919-98-8) 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 3,4,5-triacetyloxy-6-bromooxane-2-carboxylate
Also Known As: Acetobromo-alpha-D-glucuronic acid methyl ester, 4CH-016369, 2-(3-Fluorophenyl)-4-thiazolidinecarboxylicacid, (2R,3R,4S,5S,6S)-2-Bromo-6-(methoxycarbonyl)tetrahydro-2H-pyran-3,4,5-triyl triacetate, methyl 3,4,5-triacetyloxy-6-bromooxane-2-carboxylate
| Molecular Formula | C13H17BrO9 |
|---|---|
| Molecular Weight | 396.01 g/mol |
| LogP | 0.0743 |
| Topological Polar Surface Area | 114.43 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 396.00558 |
| Heavy Atoms | 23 |
| Complexity | 491.83685 |
Chemical Identifiers
| CAS Number | 6919-98-8 |
|---|---|
| SMILES | CC(=O)OC1C(C(OC(C1OC(=O)C)Br)C(=O)OC)OC(=O)C |
Product Overview
methyl 3,4,5-triacetoxy-6-bromo-tetrahydro-2H-pyran-2-carboxylate (CAS 6919-98-8), with molecular formula C13H17BrO9 and molecular weight 396.01 g/mol. IUPAC: methyl 3,4,5-triacetyloxy-6-bromooxane-2-carboxylate.
Chemical Property Profile of methyl 3,4,5-triacetoxy-6-bromo-tetrahydro-2H-pyran-2-carboxylate
Property Insights of methyl 3,4,5-triacetoxy-6-bromo-tetrahydro-2H-pyran-2-carboxylate
The XLogP value of 0.0743 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 3,4,5-triacetoxy-6-bromo-tetrahydro-2H-pyran-2-carboxylate. The TPSA of 114.43 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 3,4,5-triacetoxy-6-bromo-tetrahydro-2H-pyran-2-carboxylate. Following Lipinski's Rule of Five, methyl 3,4,5-triacetoxy-6-bromo-tetrahydro-2H-pyran-2-carboxylate 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 methyl 3,4,5-triacetoxy-6-bromo-tetrahydro-2H-pyran-2-carboxylate?
The CAS number of methyl 3,4,5-triacetoxy-6-bromo-tetrahydro-2H-pyran-2-carboxylate is 6919-98-8.
What is the molecular formula of methyl 3,4,5-triacetoxy-6-bromo-tetrahydro-2H-pyran-2-carboxylate?
The molecular formula of methyl 3,4,5-triacetoxy-6-bromo-tetrahydro-2H-pyran-2-carboxylate is C13H17BrO9.
What is the molecular weight of methyl 3,4,5-triacetoxy-6-bromo-tetrahydro-2H-pyran-2-carboxylate?
The molecular weight of methyl 3,4,5-triacetoxy-6-bromo-tetrahydro-2H-pyran-2-carboxylate is 396.01 g/mol.
Where can I buy methyl 3,4,5-triacetoxy-6-bromo-tetrahydro-2H-pyran-2-carboxylate?
You can request a quote for methyl 3,4,5-triacetoxy-6-bromo-tetrahydro-2H-pyran-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 3,4,5-triacetoxy-6-bromo-tetrahydro-2H-pyran-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for methyl 3,4,5-triacetoxy-6-bromo-tetrahydro-2H-pyran-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.