1,3-Propanediol, 2-(hydroxymethyl)-2-(3-pyridinyl)-
TL;DR: 1,3-Propanediol, 2-(hydroxymethyl)-2-(3-pyridinyl)- (CAS 96684-27-4) is a chemical compound with molecular formula C9H13NO3 and molecular weight 183.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(hydroxymethyl)-2-pyridin-3-ylpropane-1,3-diol
Also Known As: 2-(hydroxymethyl)-2-(pyridin-3-yl)propane-1,3-diol, 1,3-Propanediol, 2-(hydroxymethyl)-2-(3-pyridinyl)-, 2-(hydroxymethyl)-2-pyridin-3-ylpropane-1,3-diol, 2-(hydroxymethyl)-2-pyridin-3-yl-propane-1,3-diol, 1,3-Propanediol,2-(hydroxymethyl)-2-(3-pyridinyl)-
| Molecular Formula | C9H13NO3 |
|---|---|
| Molecular Weight | 183.09 g/mol |
| LogP | -1.1 |
| Topological Polar Surface Area | 73.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 183.08954 |
| Heavy Atoms | 13 |
| Complexity | 140.0 |
Chemical Identifiers
| CAS Number | 96684-27-4 |
|---|---|
| SMILES | C1=CC(=CN=C1)C(CO)(CO)CO |
| InChIKey | UKPISVUBVUAAJX-UHFFFAOYSA-N |
Product Overview
1,3-Propanediol, 2-(hydroxymethyl)-2-(3-pyridinyl)- (CAS 96684-27-4), with molecular formula C9H13NO3 and molecular weight 183.09 g/mol. IUPAC: 2-(hydroxymethyl)-2-pyridin-3-ylpropane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-(hydroxymethyl)-2-(3-pyridinyl)-
Property Insights of 1,3-Propanediol, 2-(hydroxymethyl)-2-(3-pyridinyl)-
The XLogP value of -1.1 indicates that 1,3-Propanediol, 2-(hydroxymethyl)-2-(3-pyridinyl)- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 73.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-(hydroxymethyl)-2-(3-pyridinyl)-. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-(hydroxymethyl)-2-(3-pyridinyl)- has 3 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 1,3-Propanediol, 2-(hydroxymethyl)-2-(3-pyridinyl)-?
The CAS number of 1,3-Propanediol, 2-(hydroxymethyl)-2-(3-pyridinyl)- is 96684-27-4.
What is the molecular formula of 1,3-Propanediol, 2-(hydroxymethyl)-2-(3-pyridinyl)-?
The molecular formula of 1,3-Propanediol, 2-(hydroxymethyl)-2-(3-pyridinyl)- is C9H13NO3.
What is the molecular weight of 1,3-Propanediol, 2-(hydroxymethyl)-2-(3-pyridinyl)-?
The molecular weight of 1,3-Propanediol, 2-(hydroxymethyl)-2-(3-pyridinyl)- is 183.09 g/mol.
Where can I buy 1,3-Propanediol, 2-(hydroxymethyl)-2-(3-pyridinyl)-?
You can request a quote for 1,3-Propanediol, 2-(hydroxymethyl)-2-(3-pyridinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2-(hydroxymethyl)-2-(3-pyridinyl)-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-(hydroxymethyl)-2-(3-pyridinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.