3-(2-Pyridyl)-1,3-propanediol diacetate
TL;DR: 3-(2-Pyridyl)-1,3-propanediol diacetate (CAS 100391-74-0) is a chemical compound with molecular formula C12H15NO4 and molecular weight 237.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-acetyloxy-3-pyridin-2-ylpropyl) acetate
Also Known As: 3-(2-pyridyl)-1,3-propanediol diacetate, (3-acetyloxy-3-pyridin-2-ylpropyl) acetate, 1-(pyridin-2-yl)propane-1,3-diyl diacetate, 1,3-Propanediol, 1-(2-pyridinyl)-, 1,3-diacetate, 1-(2-Pyridinyl)-1,3-propanediol 1,3-diacetate
| Molecular Formula | C12H15NO4 |
|---|---|
| Molecular Weight | 237.10 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 65.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 237.10011 |
| Heavy Atoms | 17 |
| Complexity | 267.0 |
Chemical Identifiers
| CAS Number | 100391-74-0 |
|---|---|
| SMILES | CC(=O)OCCC(C1=CC=CC=N1)OC(=O)C |
| InChIKey | UGXGFKYGAPFDBK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-(2-Pyridyl)-1,3-propanediol diacetate (CAS 100391-74-0), with molecular formula C12H15NO4 and molecular weight 237.10 g/mol. IUPAC: (3-acetyloxy-3-pyridin-2-ylpropyl) acetate.
Chemical Property Profile of 3-(2-Pyridyl)-1,3-propanediol diacetate
Property Insights of 3-(2-Pyridyl)-1,3-propanediol diacetate
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(2-Pyridyl)-1,3-propanediol diacetate. The TPSA of 65.5 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(2-Pyridyl)-1,3-propanediol diacetate. Following Lipinski's Rule of Five, 3-(2-Pyridyl)-1,3-propanediol diacetate 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-(2-Pyridyl)-1,3-propanediol diacetate?
The CAS number of 3-(2-Pyridyl)-1,3-propanediol diacetate is 100391-74-0.
What is the molecular formula of 3-(2-Pyridyl)-1,3-propanediol diacetate?
The molecular formula of 3-(2-Pyridyl)-1,3-propanediol diacetate is C12H15NO4.
What is the molecular weight of 3-(2-Pyridyl)-1,3-propanediol diacetate?
The molecular weight of 3-(2-Pyridyl)-1,3-propanediol diacetate is 237.10 g/mol.
Where can I buy 3-(2-Pyridyl)-1,3-propanediol diacetate?
You can request a quote for 3-(2-Pyridyl)-1,3-propanediol diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(2-Pyridyl)-1,3-propanediol diacetate?
Yes, KEHONG BIO provides custom synthesis services for 3-(2-Pyridyl)-1,3-propanediol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.