Benzyl
TL;DR: Benzyl (CAS 67310-53-6) is a chemical compound with molecular formula C33H42O18 and molecular weight 726.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate
Also Known As: Benzyl, A-Lactoside Heptaacetate, Benzyl beta-D-Lactoside Heptaacetate, Benzyl hepta-O-acetyl-b-D-lactoside, Benzyl
| Molecular Formula | C33H42O18 |
|---|---|
| Molecular Weight | 726.24 g/mol |
| LogP | 0.8229 |
| Topological Polar Surface Area | 221.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 18 |
| Rotatable Bonds | 14 |
| Exact Mass | 726.2371 |
| Heavy Atoms | 51 |
| Complexity | 1397.069 |
Chemical Identifiers
| CAS Number | 67310-53-6 |
|---|---|
| SMILES | CC(=O)OC[C@@H]1[C@H]([C@@H]([C@H]([C@@H](O1)OCC2=CC=CC=C2)OC(=O)C)OC(=O)C)O[C@H]3[C@@H]([C@H]([C@H]([C@H](O3)COC(=O)C)OC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
Benzyl (CAS 67310-53-6), with molecular formula C33H42O18 and molecular weight 726.24 g/mol. IUPAC: [(2R,3R,4S,5R,6R)-4,5-diacetyloxy-6-phenylmethoxy-3-[(2S,3R,4S,5S,6R)-3,4,5-triacetyloxy-6-(acetyloxymethyl)oxan-2-yl]oxyoxan-2-yl]methyl acetate.
Chemical Property Profile of Benzyl
Property Insights of Benzyl
The XLogP value of 0.8229 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl. The TPSA of 221.02 Ų indicates high polarity, suggesting Benzyl may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzyl has 0 hydrogen bond donor(s) and 18 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Benzyl?
The CAS number of Benzyl is 67310-53-6.
What is the molecular formula of Benzyl?
The molecular formula of Benzyl is C33H42O18.
What is the molecular weight of Benzyl?
The molecular weight of Benzyl is 726.24 g/mol.
Where can I buy Benzyl?
You can request a quote for Benzyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl?
Yes, KEHONG BIO provides custom synthesis services for Benzyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.