四氢烟酸
TL;DR: 四氢烟酸 (CAS 498-96-4) is a chemical compound with molecular formula C6H9NO2 and molecular weight 127.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
四氢烟酸
1,2,3,6-tetrahydropyridine-5-carboxylic acid
Also Known As: Guvacine, Guvacine hydrochloride, 1,2,5,6-tetrahydropyridine-3-carboxylic acid, 1,2,5,6-Tetrahydronicotinic acid, Lopac-G-007
| Molecular Formula | C6H9NO2 |
|---|---|
| Molecular Weight | 127.06 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 127.06333 |
| Heavy Atoms | 9 |
| Complexity | 151.0 |
| Melting Point | 306 |
| Solubility | Soluble in water, and almost insoluble in 100% alcohol, ether, chloroform, and benzene. |
Chemical Identifiers
| CAS Number | 498-96-4 |
|---|---|
| SMILES | C1CNCC(=C1)C(=O)O |
| InChIKey | QTDZOWFRBNTPQR-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
四氢烟酸 (CAS 498-96-4), with molecular formula C6H9NO2 and molecular weight 127.06 g/mol. IUPAC: 1,2,3,6-tetrahydropyridine-5-carboxylic acid.
Chemical Property Profile of 四氢烟酸
Property Insights of 四氢烟酸
The XLogP value of -2.5 indicates that 四氢烟酸 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 49.3 Ų, 四氢烟酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 去甲槟榔次碱 has 2 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 去甲槟榔次碱?
The CAS number of 去甲槟榔次碱 is 498-96-4.
What is the molecular formula of 去甲槟榔次碱?
The molecular formula of 去甲槟榔次碱 is C6H9NO2.
What is the molecular weight of 去甲槟榔次碱?
The molecular weight of 去甲槟榔次碱 is 127.06 g/mol.
Where can I buy 去甲槟榔次碱?
You can request a quote for 去甲槟榔次碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 去甲槟榔次碱?
Yes, KEHONG BIO provides custom synthesis services for 去甲槟榔次碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.