Isoguvacine propyl ester
TL;DR: Isoguvacine propyl ester (CAS 81256-84-0) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propyl 1,2,3,6-tetrahydropyridine-4-carboxylate
Also Known As: Isoguvacine propyl ester, IGPE, propyl 1,2,3,6-tetrahydropyridine-4-carboxylate, 4-Pyridinecarboxylic acid, 1,2,3,6-tetrahydro-, propyl ester, RefChem:149397
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 187.0 |
Chemical Identifiers
| CAS Number | 81256-84-0 |
|---|---|
| SMILES | CCCOC(=O)C1=CCNCC1 |
| InChIKey | PBMDISAJJZPQKQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Isoguvacine propyl ester (CAS 81256-84-0), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: propyl 1,2,3,6-tetrahydropyridine-4-carboxylate.
Chemical Property Profile of Isoguvacine propyl ester
Property Insights of Isoguvacine propyl ester
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isoguvacine propyl ester. With a topological polar surface area (TPSA) of 38.3 Ų, Isoguvacine propyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoguvacine propyl ester 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 Isoguvacine propyl ester?
The CAS number of Isoguvacine propyl ester is 81256-84-0.
What is the molecular formula of Isoguvacine propyl ester?
The molecular formula of Isoguvacine propyl ester is C9H15NO2.
What is the molecular weight of Isoguvacine propyl ester?
The molecular weight of Isoguvacine propyl ester is 169.11 g/mol.
Where can I buy Isoguvacine propyl ester?
You can request a quote for Isoguvacine propyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoguvacine propyl ester?
Yes, KEHONG BIO provides custom synthesis services for Isoguvacine propyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.