3-Pyridinemethanol, 5-chloro-, propanoate (ester)
TL;DR: 3-Pyridinemethanol, 5-chloro-, propanoate (ester) (CAS 5469-62-5) is a chemical compound with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-chloro-3-pyridinyl)methyl propanoate
Also Known As: (5-chloropyridin-3-yl)methyl propanoate, 3-Pyridinemethanol, 5-chloro-, propanoate (ester), 5-Chloro-3-pyridinemethanol propanoate (ester), 5-21-02-00183 (Beilstein Handbook Reference), BRN 1531187
| Molecular Formula | C9H10ClNO2 |
|---|---|
| Molecular Weight | 199.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 39.2 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.04001 |
| Heavy Atoms | 13 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 5469-62-5 |
|---|---|
| SMILES | CCC(=O)OCC1=CC(=CN=C1)Cl |
| InChIKey | CVJHVAQVVIEWAC-UHFFFAOYSA-N |
Product Overview
3-Pyridinemethanol, 5-chloro-, propanoate (ester) (CAS 5469-62-5), with molecular formula C9H10ClNO2 and molecular weight 199.04 g/mol. IUPAC: (5-chloro-3-pyridinyl)methyl propanoate.
Chemical Property Profile of 3-Pyridinemethanol, 5-chloro-, propanoate (ester)
Property Insights of 3-Pyridinemethanol, 5-chloro-, propanoate (ester)
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Pyridinemethanol, 5-chloro-, propanoate (ester). With a topological polar surface area (TPSA) of 39.2 Ų, 3-Pyridinemethanol, 5-chloro-, propanoate (ester) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Pyridinemethanol, 5-chloro-, propanoate (ester) has 0 hydrogen bond donor(s) and 3 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-Pyridinemethanol, 5-chloro-, propanoate (ester)?
The CAS number of 3-Pyridinemethanol, 5-chloro-, propanoate (ester) is 5469-62-5.
What is the molecular formula of 3-Pyridinemethanol, 5-chloro-, propanoate (ester)?
The molecular formula of 3-Pyridinemethanol, 5-chloro-, propanoate (ester) is C9H10ClNO2.
What is the molecular weight of 3-Pyridinemethanol, 5-chloro-, propanoate (ester)?
The molecular weight of 3-Pyridinemethanol, 5-chloro-, propanoate (ester) is 199.04 g/mol.
Where can I buy 3-Pyridinemethanol, 5-chloro-, propanoate (ester)?
You can request a quote for 3-Pyridinemethanol, 5-chloro-, propanoate (ester) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Pyridinemethanol, 5-chloro-, propanoate (ester)?
Yes, KEHONG BIO provides custom synthesis services for 3-Pyridinemethanol, 5-chloro-, propanoate (ester) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.