二氢吡啶甲酸
TL;DR: 二氢吡啶甲酸 (CAS 139549-65-8) is a chemical compound with molecular formula C6H7NO2 and molecular weight 125.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
二氢吡啶甲酸
3,4-dihydropyridine-2-carboxylic acid
Also Known As: Dihydropicolinic acid, 3,4-Dihydropicolinic acid, 3,4-dihydropyridine-2-carboxylic acid, 2-Pyridinecarboxylicacid, 3,4-dihydro-, 2-Pyridinecarboxylicacid,3,4-dihydro-(9CI)
| Molecular Formula | C6H7NO2 |
|---|---|
| Molecular Weight | 125.05 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 49.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 125.047676 |
| Heavy Atoms | 9 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 139549-65-8 |
|---|---|
| SMILES | C1CC(=NC=C1)C(=O)O |
| InChIKey | FIZUQXLGABRGSR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
二氢吡啶甲酸 (CAS 139549-65-8), with molecular formula C6H7NO2 and molecular weight 125.05 g/mol. IUPAC: 3,4-dihydropyridine-2-carboxylic acid.
Chemical Property Profile of 二氢吡啶甲酸
Property Insights of 二氢吡啶甲酸
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 二氢吡啶甲酸. With a topological polar surface area (TPSA) of 49.7 Ų, 二氢吡啶甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 二氢吡啶甲酸 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 二氢吡啶甲酸?
The CAS number of 二氢吡啶甲酸 is 139549-65-8.
What is the molecular formula of 二氢吡啶甲酸?
The molecular formula of 二氢吡啶甲酸 is C6H7NO2.
What is the molecular weight of 二氢吡啶甲酸?
The molecular weight of 二氢吡啶甲酸 is 125.05 g/mol.
Where can I buy 二氢吡啶甲酸?
You can request a quote for 二氢吡啶甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 二氢吡啶甲酸?
Yes, KEHONG BIO provides custom synthesis services for 二氢吡啶甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.