(3,4-Diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate
TL;DR: (3,4-Diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate (CAS 4451-37-0) is a chemical compound with molecular formula C12H17ClO8 and molecular weight 324.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4-diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate
Also Known As: 3,4,6-Tri-O-acetylhexopyranosyl chloride, (3,4-diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate, (2R,3R,4R,5R,6S)-2-(Acetoxymethyl)-6-chloro-5-hydroxytetrahydro-2H-pyran-3,4-diyl diacetate
| Molecular Formula | C12H17ClO8 |
|---|---|
| Molecular Weight | 324.06 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 108.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 324.0612 |
| Heavy Atoms | 21 |
| Complexity | 412.0 |
Chemical Identifiers
| CAS Number | 4451-37-0 |
|---|---|
| SMILES | CC(=O)OCC1C(C(C(C(O1)Cl)O)OC(=O)C)OC(=O)C |
| InChIKey | WCYKMRJTYLWEET-UHFFFAOYSA-N |
Product Overview
(3,4-Diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate (CAS 4451-37-0), with molecular formula C12H17ClO8 and molecular weight 324.06 g/mol. IUPAC: (3,4-diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate.
Chemical Property Profile of (3,4-Diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate
Property Insights of (3,4-Diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (3,4-Diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate. The TPSA of 108.0 Ų falls within the moderate polarity range, balancing permeability and solubility for (3,4-Diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate. Following Lipinski's Rule of Five, (3,4-Diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate has 1 hydrogen bond donor(s) and 8 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 (3,4-Diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate?
The CAS number of (3,4-Diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate is 4451-37-0.
What is the molecular formula of (3,4-Diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate?
The molecular formula of (3,4-Diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate is C12H17ClO8.
What is the molecular weight of (3,4-Diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate?
The molecular weight of (3,4-Diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate is 324.06 g/mol.
Where can I buy (3,4-Diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate?
You can request a quote for (3,4-Diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (3,4-Diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate?
Yes, KEHONG BIO provides custom synthesis services for (3,4-Diacetyloxy-6-chloro-5-hydroxyoxan-2-yl)methyl acetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.