Picolinic acid, 5-(3-chlorobutyl)-
TL;DR: Picolinic acid, 5-(3-chlorobutyl)- (CAS 49751-46-4) is a chemical compound with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(3-chlorobutyl)pyridine-2-carboxylic acid
Also Known As: Codeine,bromo, 5-(3-Chlorobutyl)picolinic acid, Picolinic acid, 5-(3-chlorobutyl)-, 5- pyridine-2-carboxylicacid, 5-(3-chlorobutyl)pyridine-2-carboxylic acid
| Molecular Formula | C10H12ClNO2 |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 50.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 213.05565 |
| Heavy Atoms | 14 |
| Complexity | 199.0 |
Chemical Identifiers
| CAS Number | 49751-46-4 |
|---|---|
| SMILES | CC(CCC1=CN=C(C=C1)C(=O)O)Cl |
| InChIKey | UMTVPJSYONKRSV-UHFFFAOYSA-N |
Product Overview
Picolinic acid, 5-(3-chlorobutyl)- (CAS 49751-46-4), with molecular formula C10H12ClNO2 and molecular weight 213.06 g/mol. IUPAC: 5-(3-chlorobutyl)pyridine-2-carboxylic acid.
Chemical Property Profile of Picolinic acid, 5-(3-chlorobutyl)-
Property Insights of Picolinic acid, 5-(3-chlorobutyl)-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Picolinic acid, 5-(3-chlorobutyl)-. With a topological polar surface area (TPSA) of 50.2 Ų, Picolinic acid, 5-(3-chlorobutyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Picolinic acid, 5-(3-chlorobutyl)- has 1 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 Picolinic acid, 5-(3-chlorobutyl)-?
The CAS number of Picolinic acid, 5-(3-chlorobutyl)- is 49751-46-4.
What is the molecular formula of Picolinic acid, 5-(3-chlorobutyl)-?
The molecular formula of Picolinic acid, 5-(3-chlorobutyl)- is C10H12ClNO2.
What is the molecular weight of Picolinic acid, 5-(3-chlorobutyl)-?
The molecular weight of Picolinic acid, 5-(3-chlorobutyl)- is 213.06 g/mol.
Where can I buy Picolinic acid, 5-(3-chlorobutyl)-?
You can request a quote for Picolinic acid, 5-(3-chlorobutyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Picolinic acid, 5-(3-chlorobutyl)-?
Yes, KEHONG BIO provides custom synthesis services for Picolinic acid, 5-(3-chlorobutyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.