Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester
TL;DR: Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester (CAS 60439-46-5) is a chemical compound with molecular formula C17H25NO6 and molecular weight 339.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-morpholin-4-ylpropyl 3,4,5-trimethoxybenzoate
Also Known As: 3-Morpholinopropyl-3,4,5-trimethoxybenzoate, 3-morpholin-4-ylpropyl 3,4,5-trimethoxybenzoate, BENZOIC ACID, 3,4,5-TRIMETHOXY-, 3-MORPHOLINOPROPYL ESTER, 3-Morpholinopropyl=3,4,5-trimethoxybenzoate, 4-27-00-00134 (Beilstein Handbook Reference)
| Molecular Formula | C17H25NO6 |
|---|---|
| Molecular Weight | 339.17 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 66.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 339.16818 |
| Heavy Atoms | 24 |
| Complexity | 360.0 |
Chemical Identifiers
| CAS Number | 60439-46-5 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)C(=O)OCCCN2CCOCC2 |
| InChIKey | VXOBLNCPAAJICO-UHFFFAOYSA-N |
Product Overview
Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester (CAS 60439-46-5), with molecular formula C17H25NO6 and molecular weight 339.17 g/mol. IUPAC: 3-morpholin-4-ylpropyl 3,4,5-trimethoxybenzoate.
Chemical Property Profile of Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester
Property Insights of Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester. The TPSA of 66.5 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester. Following Lipinski's Rule of Five, Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester has 0 hydrogen bond donor(s) and 7 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 Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester?
The CAS number of Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester is 60439-46-5.
What is the molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester?
The molecular formula of Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester is C17H25NO6.
What is the molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester?
The molecular weight of Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester is 339.17 g/mol.
Where can I buy Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester?
You can request a quote for Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester?
Yes, KEHONG BIO provides custom synthesis services for Benzoic acid, 3,4,5-trimethoxy-, 3-morpholinopropyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.