3-O-Benzyl-1,2
TL;DR: 3-O-Benzyl-1,2 (CAS 22331-21-1) is a chemical compound with molecular formula C19H26O6 and molecular weight 350.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
Also Known As: 3-O-Benzyl-1,2, 3-O-Benzyl-1,2:5,6-bis-O-isopropylidene-alpha-D-galactofuranose, HY-W357106, (3aR,5R,6R,6aR)-6-(benzyloxy)-5-((R)-2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxole, 3-O-Benzyl-1,2:5,6-di-O-isopropylidene-a-D-allofuranose
| Molecular Formula | C19H26O6 |
|---|---|
| Molecular Weight | 350.17 g/mol |
| LogP | 2.5997 |
| Topological Polar Surface Area | 55.38 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 350.17294 |
| Heavy Atoms | 25 |
| Complexity | 601.1917 |
Chemical Identifiers
| CAS Number | 22331-21-1 |
|---|---|
| SMILES | CC1(OC[C@@H](O1)[C@@H]2[C@H]([C@@H]3[C@H](O2)OC(O3)(C)C)OCC4=CC=CC=C4)C |
Product Overview
3-O-Benzyl-1,2 (CAS 22331-21-1), with molecular formula C19H26O6 and molecular weight 350.17 g/mol. IUPAC: (3aR,5R,6R,6aR)-5-[(4R)-2,2-dimethyl-1,3-dioxolan-4-yl]-2,2-dimethyl-6-phenylmethoxy-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
Chemical Property Profile of 3-O-Benzyl-1,2
Property Insights of 3-O-Benzyl-1,2
The XLogP value of 2.5997 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-O-Benzyl-1,2. With a topological polar surface area (TPSA) of 55.38 Ų, 3-O-Benzyl-1,2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-O-Benzyl-1,2 has 0 hydrogen bond donor(s) and 6 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 3-O-Benzyl-1,2?
The CAS number of 3-O-Benzyl-1,2 is 22331-21-1.
What is the molecular formula of 3-O-Benzyl-1,2?
The molecular formula of 3-O-Benzyl-1,2 is C19H26O6.
What is the molecular weight of 3-O-Benzyl-1,2?
The molecular weight of 3-O-Benzyl-1,2 is 350.17 g/mol.
Where can I buy 3-O-Benzyl-1,2?
You can request a quote for 3-O-Benzyl-1,2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-O-Benzyl-1,2?
Yes, KEHONG BIO provides custom synthesis services for 3-O-Benzyl-1,2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.