Benzyl alcohol, 3-chloro-2,5-dihydroxy-, triacetate
TL;DR: Benzyl alcohol, 3-chloro-2,5-dihydroxy-, triacetate (CAS 33241-18-8) is a chemical compound with molecular formula C13H13ClO6 and molecular weight 300.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,5-diacetyloxy-3-chlorophenyl)methyl acetate
Also Known As: Benzyl alcohol, 3-chloro-2,5-dihydroxy-, triacetate, (2,5-diacetyloxy-3-chlorophenyl)methyl acetate, [2,5-bis(acetyloxy)-3-chlorophenyl]methyl acetate, Diaceticacid2-acetyloxymethyl-6-chlorobenzene-1,4-diylester, 1,4-Benzenediol, 2-[(acetyloxy)methyl]-6-chloro-, diacetate
| Molecular Formula | C13H13ClO6 |
|---|---|
| Molecular Weight | 300.04 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 300.04007 |
| Heavy Atoms | 20 |
| Complexity | 383.0 |
Chemical Identifiers
| CAS Number | 33241-18-8 |
|---|---|
| SMILES | CC(=O)OCC1=C(C(=CC(=C1)OC(=O)C)Cl)OC(=O)C |
| InChIKey | BDGLFOHDEIQFCM-UHFFFAOYSA-N |
Product Overview
Benzyl alcohol, 3-chloro-2,5-dihydroxy-, triacetate (CAS 33241-18-8), with molecular formula C13H13ClO6 and molecular weight 300.04 g/mol. IUPAC: (2,5-diacetyloxy-3-chlorophenyl)methyl acetate.
Chemical Property Profile of Benzyl alcohol, 3-chloro-2,5-dihydroxy-, triacetate
Property Insights of Benzyl alcohol, 3-chloro-2,5-dihydroxy-, triacetate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzyl alcohol, 3-chloro-2,5-dihydroxy-, triacetate. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzyl alcohol, 3-chloro-2,5-dihydroxy-, triacetate. Following Lipinski's Rule of Five, Benzyl alcohol, 3-chloro-2,5-dihydroxy-, triacetate 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 Benzyl alcohol, 3-chloro-2,5-dihydroxy-, triacetate?
The CAS number of Benzyl alcohol, 3-chloro-2,5-dihydroxy-, triacetate is 33241-18-8.
What is the molecular formula of Benzyl alcohol, 3-chloro-2,5-dihydroxy-, triacetate?
The molecular formula of Benzyl alcohol, 3-chloro-2,5-dihydroxy-, triacetate is C13H13ClO6.
What is the molecular weight of Benzyl alcohol, 3-chloro-2,5-dihydroxy-, triacetate?
The molecular weight of Benzyl alcohol, 3-chloro-2,5-dihydroxy-, triacetate is 300.04 g/mol.
Where can I buy Benzyl alcohol, 3-chloro-2,5-dihydroxy-, triacetate?
You can request a quote for Benzyl alcohol, 3-chloro-2,5-dihydroxy-, triacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzyl alcohol, 3-chloro-2,5-dihydroxy-, triacetate?
Yes, KEHONG BIO provides custom synthesis services for Benzyl alcohol, 3-chloro-2,5-dihydroxy-, triacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.