1,2-O-Isopropylidene-3-O-benzoyl-D-allofuranose
TL;DR: 1,2-O-Isopropylidene-3-O-benzoyl-D-allofuranose (CAS 31795-13-8) is a chemical compound with molecular formula C16H20O7 and molecular weight 324.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[5-(1,2-dihydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate
Also Known As: 1,2-O-ISOPROPYLIDENE-3-O-BENZOYL-D-ALLOFURANOSE, AE-641/00611048, 3-O-Benzoyl-1,2-O-(1-methylethylidene)hexofuranose #, Benzoic acid, [tetrahydro-5-(1,2-dihydroxyethyl-2,2-dimethylfuro[2,3-d]1,3-dioxol-6-yl] ester, 5-(1,2-dihydroxyethyl)-2,2-dimethyltetrahydrofuro[2,3-d][1,3]dioxol-6-yl benzoate
| Molecular Formula | C16H20O7 |
|---|---|
| Molecular Weight | 324.12 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 94.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 324.1209 |
| Heavy Atoms | 23 |
| Complexity | 432.0 |
Chemical Identifiers
| CAS Number | 31795-13-8 |
|---|---|
| SMILES | CC1(OC2C(C(OC2O1)C(CO)O)OC(=O)C3=CC=CC=C3)C |
| InChIKey | FVMGHHSPTSHJCW-UHFFFAOYSA-N |
Product Overview
1,2-O-Isopropylidene-3-O-benzoyl-D-allofuranose (CAS 31795-13-8), with molecular formula C16H20O7 and molecular weight 324.12 g/mol. IUPAC: [5-(1,2-dihydroxyethyl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxol-6-yl] benzoate.
Chemical Property Profile of 1,2-O-Isopropylidene-3-O-benzoyl-D-allofuranose
Property Insights of 1,2-O-Isopropylidene-3-O-benzoyl-D-allofuranose
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2-O-Isopropylidene-3-O-benzoyl-D-allofuranose. The TPSA of 94.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,2-O-Isopropylidene-3-O-benzoyl-D-allofuranose. Following Lipinski's Rule of Five, 1,2-O-Isopropylidene-3-O-benzoyl-D-allofuranose has 2 hydrogen bond donor(s) and 7 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 1,2-O-Isopropylidene-3-O-benzoyl-D-allofuranose?
The CAS number of 1,2-O-Isopropylidene-3-O-benzoyl-D-allofuranose is 31795-13-8.
What is the molecular formula of 1,2-O-Isopropylidene-3-O-benzoyl-D-allofuranose?
The molecular formula of 1,2-O-Isopropylidene-3-O-benzoyl-D-allofuranose is C16H20O7.
What is the molecular weight of 1,2-O-Isopropylidene-3-O-benzoyl-D-allofuranose?
The molecular weight of 1,2-O-Isopropylidene-3-O-benzoyl-D-allofuranose is 324.12 g/mol.
Where can I buy 1,2-O-Isopropylidene-3-O-benzoyl-D-allofuranose?
You can request a quote for 1,2-O-Isopropylidene-3-O-benzoyl-D-allofuranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-O-Isopropylidene-3-O-benzoyl-D-allofuranose?
Yes, KEHONG BIO provides custom synthesis services for 1,2-O-Isopropylidene-3-O-benzoyl-D-allofuranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.