1,4-Benzenedimethanol, 1,4-dibenzoate
TL;DR: 1,4-Benzenedimethanol, 1,4-dibenzoate (CAS 102706-09-2) is a chemical compound with molecular formula C22H18O4 and molecular weight 346.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(benzoyloxymethyl)phenyl]methyl benzoate
Also Known As: [4-(benzoyloxymethyl)phenyl]methyl Benzoate|1,4-Benzenedimethanol, 1,4-dibenzoate
| Molecular Formula | C22H18O4 |
|---|---|
| Molecular Weight | 346.12 g/mol |
| LogP | 4.4006 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 346.1205 |
| Heavy Atoms | 26 |
| Complexity | 781.1637 |
Chemical Identifiers
| CAS Number | 102706-09-2 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCC2=CC=C(C=C2)COC(=O)C3=CC=CC=C3 |
Product Overview
1,4-Benzenedimethanol, 1,4-dibenzoate (CAS 102706-09-2), with molecular formula C22H18O4 and molecular weight 346.12 g/mol. IUPAC: [4-(benzoyloxymethyl)phenyl]methyl benzoate.
Chemical Property Profile of 1,4-Benzenedimethanol, 1,4-dibenzoate
Property Insights of 1,4-Benzenedimethanol, 1,4-dibenzoate
The XLogP value of 4.4006 indicates that 1,4-Benzenedimethanol, 1,4-dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 1,4-Benzenedimethanol, 1,4-dibenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Benzenedimethanol, 1,4-dibenzoate has 0 hydrogen bond donor(s) and 4 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 1,4-Benzenedimethanol, 1,4-dibenzoate?
The CAS number of 1,4-Benzenedimethanol, 1,4-dibenzoate is 102706-09-2.
What is the molecular formula of 1,4-Benzenedimethanol, 1,4-dibenzoate?
The molecular formula of 1,4-Benzenedimethanol, 1,4-dibenzoate is C22H18O4.
What is the molecular weight of 1,4-Benzenedimethanol, 1,4-dibenzoate?
The molecular weight of 1,4-Benzenedimethanol, 1,4-dibenzoate is 346.12 g/mol.
Where can I buy 1,4-Benzenedimethanol, 1,4-dibenzoate?
You can request a quote for 1,4-Benzenedimethanol, 1,4-dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Benzenedimethanol, 1,4-dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Benzenedimethanol, 1,4-dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.