3,3'-Oxybis-1-propanol dibenzoate
TL;DR: 3,3'-Oxybis-1-propanol dibenzoate (CAS 94-51-9) is a chemical compound with molecular formula C20H22O5 and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3-benzoyloxypropoxy)propyl benzoate
Also Known As: Oxydipropyl dibenzoate, Benzoflex 9-98, K-Flex DP, Benzoflex 9-88 SG, Benzoflex-9-98
| Molecular Formula | C20H22O5 |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 12 |
| Exact Mass | 342.14673 |
| Heavy Atoms | 25 |
| Complexity | 348.0 |
| Melting Point | -30.0 °C |
| Boiling Point | 230.0 °C at 760 mmHg |
| Density | 1.13 |
| Flash Point | greater than 148.9 °C |
Chemical Identifiers
| CAS Number | 94-51-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OCCCOCCCOC(=O)C2=CC=CC=C2 |
| InChIKey | BYQDGAVOOHIJQS-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-Oxybis-1-propanol dibenzoate (CAS 94-51-9), with molecular formula C20H22O5 and molecular weight 342.15 g/mol. IUPAC: 3-(3-benzoyloxypropoxy)propyl benzoate.
Chemical Property Profile of 3,3'-Oxybis-1-propanol dibenzoate
Property Insights of 3,3'-Oxybis-1-propanol dibenzoate
The XLogP value of 3.9 indicates that 3,3'-Oxybis-1-propanol dibenzoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,3'-Oxybis-1-propanol dibenzoate. Following Lipinski's Rule of Five, 3,3'-Oxybis-1-propanol dibenzoate has 0 hydrogen bond donor(s) and 5 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 3,3'-Oxybis-1-propanol dibenzoate?
The CAS number of 3,3'-Oxybis-1-propanol dibenzoate is 94-51-9.
What is the molecular formula of 3,3'-Oxybis-1-propanol dibenzoate?
The molecular formula of 3,3'-Oxybis-1-propanol dibenzoate is C20H22O5.
What is the molecular weight of 3,3'-Oxybis-1-propanol dibenzoate?
The molecular weight of 3,3'-Oxybis-1-propanol dibenzoate is 342.15 g/mol.
Where can I buy 3,3'-Oxybis-1-propanol dibenzoate?
You can request a quote for 3,3'-Oxybis-1-propanol dibenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Oxybis-1-propanol dibenzoate?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Oxybis-1-propanol dibenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.