methyl 1-bromo-1-deoxy-3,4,6-tris-O-(4-methylbenzoyl)hex-2-ulofuranoside
TL;DR: methyl 1-bromo-1-deoxy-3,4,6-tris-O-(4-methylbenzoyl)hex-2-ulofuranoside (CAS 499192-80-2) is a chemical compound with molecular formula C31H31BrO8 and molecular weight 610.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5S)-5-(bromomethyl)-5-methoxy-3,4-bis[(4-methylbenzoyl)oxy]oxolan-2-yl]methyl 4-methylbenzoate
Also Known As: AE-641/12642063, methyl 1-bromo-1-deoxy-3,4,6-tris-O-(4-methylbenzoyl)-beta-D-ar, methyl 1-bromo-1-deoxy-3,4,6-tris-O-(4-methylbenzoyl)hex-2-ulofuranoside, [(2R,3R,4S,5S)-5-(bromomethyl)-5-methoxy-3,4-bis[(4-methylbenzoyl)oxy]oxolan-2-yl]methyl 4-methylbenzoate
| Molecular Formula | C31H31BrO8 |
|---|---|
| Molecular Weight | 610.12 g/mol |
| LogP | 5.35626 |
| Topological Polar Surface Area | 97.36 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 610.12024 |
| Heavy Atoms | 40 |
| Complexity | 1331.2582 |
Chemical Identifiers
| CAS Number | 499192-80-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)C(=O)OC[C@@H]2[C@H]([C@@H]([C@](O2)(CBr)OC)OC(=O)C3=CC=C(C=C3)C)OC(=O)C4=CC=C(C=C4)C |
Product Overview
methyl 1-bromo-1-deoxy-3,4,6-tris-O-(4-methylbenzoyl)hex-2-ulofuranoside (CAS 499192-80-2), with molecular formula C31H31BrO8 and molecular weight 610.12 g/mol. IUPAC: [(2R,3R,4S,5S)-5-(bromomethyl)-5-methoxy-3,4-bis[(4-methylbenzoyl)oxy]oxolan-2-yl]methyl 4-methylbenzoate.
Chemical Property Profile of methyl 1-bromo-1-deoxy-3,4,6-tris-O-(4-methylbenzoyl)hex-2-ulofuranoside
Property Insights of methyl 1-bromo-1-deoxy-3,4,6-tris-O-(4-methylbenzoyl)hex-2-ulofuranoside
The XLogP value of 5.35626 indicates that methyl 1-bromo-1-deoxy-3,4,6-tris-O-(4-methylbenzoyl)hex-2-ulofuranoside is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 97.36 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl 1-bromo-1-deoxy-3,4,6-tris-O-(4-methylbenzoyl)hex-2-ulofuranoside. Following Lipinski's Rule of Five, methyl 1-bromo-1-deoxy-3,4,6-tris-O-(4-methylbenzoyl)hex-2-ulofuranoside has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of methyl 1-bromo-1-deoxy-3,4,6-tris-O-(4-methylbenzoyl)hex-2-ulofuranoside?
The CAS number of methyl 1-bromo-1-deoxy-3,4,6-tris-O-(4-methylbenzoyl)hex-2-ulofuranoside is 499192-80-2.
What is the molecular formula of methyl 1-bromo-1-deoxy-3,4,6-tris-O-(4-methylbenzoyl)hex-2-ulofuranoside?
The molecular formula of methyl 1-bromo-1-deoxy-3,4,6-tris-O-(4-methylbenzoyl)hex-2-ulofuranoside is C31H31BrO8.
What is the molecular weight of methyl 1-bromo-1-deoxy-3,4,6-tris-O-(4-methylbenzoyl)hex-2-ulofuranoside?
The molecular weight of methyl 1-bromo-1-deoxy-3,4,6-tris-O-(4-methylbenzoyl)hex-2-ulofuranoside is 610.12 g/mol.
Where can I buy methyl 1-bromo-1-deoxy-3,4,6-tris-O-(4-methylbenzoyl)hex-2-ulofuranoside?
You can request a quote for methyl 1-bromo-1-deoxy-3,4,6-tris-O-(4-methylbenzoyl)hex-2-ulofuranoside directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 1-bromo-1-deoxy-3,4,6-tris-O-(4-methylbenzoyl)hex-2-ulofuranoside?
Yes, KEHONG BIO provides custom synthesis services for methyl 1-bromo-1-deoxy-3,4,6-tris-O-(4-methylbenzoyl)hex-2-ulofuranoside and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.