3-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose
TL;DR: 3-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose (CAS 97863-15-5) is a chemical compound with molecular formula C12H19ClO5 and molecular weight 278.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole
Also Known As: 3-CHLORO-3-DEOXY-1,2, 3-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose, N0001-001301, 3-Chloro-3-deoxy-1,2:4,6-di-O-isopropylidene-alpha-D-glucopyranose, 2-chloro-3-(2,2-dimethyl-1,3-dioxolan-4-yl)-7,7-dimethyl-4,6,8-trioxabicyclo[3.3.0]octane
| Molecular Formula | C12H19ClO5 |
|---|---|
| Molecular Weight | 278.09 g/mol |
| LogP | 1.6217 |
| Topological Polar Surface Area | 46.15 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 278.0921 |
| Heavy Atoms | 18 |
| Complexity | 345.35947 |
Chemical Identifiers
| CAS Number | 97863-15-5 |
|---|---|
| SMILES | CC1(OCC(O1)C2C(C3C(O2)OC(O3)(C)C)Cl)C |
Product Overview
3-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose (CAS 97863-15-5), with molecular formula C12H19ClO5 and molecular weight 278.09 g/mol. IUPAC: 6-chloro-5-(2,2-dimethyl-1,3-dioxolan-4-yl)-2,2-dimethyl-3a,5,6,6a-tetrahydrofuro[2,3-d][1,3]dioxole.
Chemical Property Profile of 3-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose
Property Insights of 3-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose
The XLogP value of 1.6217 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose. With a topological polar surface area (TPSA) of 46.15 Ų, 3-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose has 0 hydrogen bond donor(s) and 5 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-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose?
The CAS number of 3-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose is 97863-15-5.
What is the molecular formula of 3-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose?
The molecular formula of 3-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose is C12H19ClO5.
What is the molecular weight of 3-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose?
The molecular weight of 3-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose is 278.09 g/mol.
Where can I buy 3-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose?
You can request a quote for 3-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose?
Yes, KEHONG BIO provides custom synthesis services for 3-Chloro-3-deoxy-1:2,5:6-diisopropylidene-D-glucopyranose and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.