黑麦草碱
TL;DR: 黑麦草碱 (CAS 25161-91-5) is a chemical compound with molecular formula C8H14N2O and molecular weight 154.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
黑麦草碱
(1R,3S,7S,8R)-N-methyl-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-amine
Also Known As: Loline, Festucine, lolina, (+)-LOLINE, LOLINE [MI]
| Molecular Formula | C8H14N2O |
|---|---|
| Molecular Weight | 154.11 g/mol |
| LogP | -0.4 |
| Topological Polar Surface Area | 24.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 154.11061 |
| Heavy Atoms | 11 |
| Complexity | 185.0 |
Chemical Identifiers
| CAS Number | 25161-91-5 |
|---|---|
| SMILES | CN[C@H]1[C@H]2CN3[C@@H]1[C@@H](O2)CC3 |
| InChIKey | OPMNROCQHKJDAQ-FKSUSPILSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
黑麦草碱 (CAS 25161-91-5), with molecular formula C8H14N2O and molecular weight 154.11 g/mol. IUPAC: (1R,3S,7S,8R)-N-methyl-2-oxa-6-azatricyclo[4.2.1.03,7]nonan-8-amine.
Chemical Property Profile of 黑麦草碱
Property Insights of 黑麦草碱
The XLogP value of -0.4 indicates that 黑麦草碱 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 24.5 Ų, 黑麦草碱 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 黑麦草碱 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 黑麦草碱?
The CAS number of 黑麦草碱 is 25161-91-5.
What is the molecular formula of 黑麦草碱?
The molecular formula of 黑麦草碱 is C8H14N2O.
What is the molecular weight of 黑麦草碱?
The molecular weight of 黑麦草碱 is 154.11 g/mol.
Where can I buy 黑麦草碱?
You can request a quote for 黑麦草碱 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 黑麦草碱?
Yes, KEHONG BIO provides custom synthesis services for 黑麦草碱 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.