1,3-Benzenediethanol, beta1,beta3-bis(acetyloxy)-, 1,3-diacetate
TL;DR: 1,3-Benzenediethanol, beta1,beta3-bis(acetyloxy)-, 1,3-diacetate (CAS 408327-97-9) is a chemical compound with molecular formula C18H22O8 and molecular weight 366.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-acetyloxy-2-[3-(1,2-diacetyloxyethyl)phenyl]ethyl] acetate
Also Known As: 1,3-Bis-(1,2-diacetoxy-aethyl)-benzol, 1,3-bis-(1,2-diacetoxy-ethyl)-benzene, (1,3-Phenylene)di(ethane-1,1,2-triyl) tetraacetate, 1,3-Benzenediethanol, beta1,beta3-bis(acetyloxy)-, 1,3-diacetate, [2-acetyloxy-2-[3-(1,2-diacetyloxyethyl)phenyl]ethyl] acetate
| Molecular Formula | C18H22O8 |
|---|---|
| Molecular Weight | 366.13 g/mol |
| LogP | 2.0212 |
| Topological Polar Surface Area | 105.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 366.13147 |
| Heavy Atoms | 26 |
| Complexity | 613.65985 |
Chemical Identifiers
| CAS Number | 408327-97-9 |
|---|---|
| SMILES | CC(=O)OCC(C1=CC(=CC=C1)C(COC(=O)C)OC(=O)C)OC(=O)C |
Product Overview
1,3-Benzenediethanol, beta1,beta3-bis(acetyloxy)-, 1,3-diacetate (CAS 408327-97-9), with molecular formula C18H22O8 and molecular weight 366.13 g/mol. IUPAC: [2-acetyloxy-2-[3-(1,2-diacetyloxyethyl)phenyl]ethyl] acetate.
Chemical Property Profile of 1,3-Benzenediethanol, beta1,beta3-bis(acetyloxy)-, 1,3-diacetate
Property Insights of 1,3-Benzenediethanol, beta1,beta3-bis(acetyloxy)-, 1,3-diacetate
The XLogP value of 2.0212 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Benzenediethanol, beta1,beta3-bis(acetyloxy)-, 1,3-diacetate. The TPSA of 105.2 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Benzenediethanol, beta1,beta3-bis(acetyloxy)-, 1,3-diacetate. Following Lipinski's Rule of Five, 1,3-Benzenediethanol, beta1,beta3-bis(acetyloxy)-, 1,3-diacetate has 0 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 1,3-Benzenediethanol, beta1,beta3-bis(acetyloxy)-, 1,3-diacetate?
The CAS number of 1,3-Benzenediethanol, beta1,beta3-bis(acetyloxy)-, 1,3-diacetate is 408327-97-9.
What is the molecular formula of 1,3-Benzenediethanol, beta1,beta3-bis(acetyloxy)-, 1,3-diacetate?
The molecular formula of 1,3-Benzenediethanol, beta1,beta3-bis(acetyloxy)-, 1,3-diacetate is C18H22O8.
What is the molecular weight of 1,3-Benzenediethanol, beta1,beta3-bis(acetyloxy)-, 1,3-diacetate?
The molecular weight of 1,3-Benzenediethanol, beta1,beta3-bis(acetyloxy)-, 1,3-diacetate is 366.13 g/mol.
Where can I buy 1,3-Benzenediethanol, beta1,beta3-bis(acetyloxy)-, 1,3-diacetate?
You can request a quote for 1,3-Benzenediethanol, beta1,beta3-bis(acetyloxy)-, 1,3-diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Benzenediethanol, beta1,beta3-bis(acetyloxy)-, 1,3-diacetate?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Benzenediethanol, beta1,beta3-bis(acetyloxy)-, 1,3-diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.