1,6-Hexanediol dibenzoate
TL;DR: 1,6-Hexanediol dibenzoate (CAS 23017-36-9) is a chemical compound with molecular formula C20H22O4 and molecular weight 326.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-benzoyloxyhexyl benzoate
Also Known As: 1,6-Hexanediol dibenzoate, Hexamethylene dibenzoate, 6-benzoyloxyhexyl benzoate, hexane-1,6-diyl dibenzoate, 1,6-Bis(benzoyloxy)hexane
| Molecular Formula | C20H22O4 |
|---|---|
| Molecular Weight | 326.15 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 326.1518 |
| Heavy Atoms | 24 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 23017-36-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCCCCCOC(=O)C2=CC=CC=C2 |
| InChIKey | TYTTZVDFWCBYPG-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,6-Hexanediol dibenzoate (CAS 23017-36-9), with molecular formula C20H22O4 and molecular weight 326.15 g/mol. IUPAC: 6-benzoyloxyhexyl benzoate.
Chemical Property Profile of 1,6-Hexanediol dibenzoate
Property Insights of 1,6-Hexanediol dibenzoate
The XLogP value of 6.2 indicates that 1,6-Hexanediol 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, 1,6-Hexanediol dibenzoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,6-Hexanediol dibenzoate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,6-Hexanediol dibenzoate?
The CAS number of 1,6-Hexanediol dibenzoate is 23017-36-9.
What is the molecular formula of 1,6-Hexanediol dibenzoate?
The molecular formula of 1,6-Hexanediol dibenzoate is C20H22O4.
What is the molecular weight of 1,6-Hexanediol dibenzoate?
The molecular weight of 1,6-Hexanediol dibenzoate is 326.15 g/mol.
Where can I buy 1,6-Hexanediol dibenzoate?
You can request a quote for 1,6-Hexanediol dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,6-Hexanediol dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for 1,6-Hexanediol dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.