Ergometrinine
TL;DR: Ergometrinine (CAS 479-00-5) is a chemical compound with molecular formula C19H23N3O2 and molecular weight 325.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9S)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: Ergometrinine, Ergometrinin, Ergonovinine, Isoergometrine, Ergobasinine
| Molecular Formula | C19H23N3O2 |
|---|---|
| Molecular Weight | 325.18 g/mol |
| LogP | 1.5346 |
| Topological Polar Surface Area | 68.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 325.17902 |
| Heavy Atoms | 24 |
| Complexity | 823.1263 |
Chemical Identifiers
| CAS Number | 479-00-5 |
|---|---|
| SMILES | C[C@@H](CO)NC(=O)[C@@H]1CN([C@@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C |
Product Overview
Ergometrinine (CAS 479-00-5), with molecular formula C19H23N3O2 and molecular weight 325.18 g/mol. IUPAC: (6aR,9S)-N-[(2S)-1-hydroxypropan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of Ergometrinine
Property Insights of Ergometrinine
The XLogP value of 1.5346 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ergometrinine. The TPSA of 68.36 Ų falls within the moderate polarity range, balancing permeability and solubility for Ergometrinine. Following Lipinski's Rule of Five, Ergometrinine has 3 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 Ergometrinine?
The CAS number of Ergometrinine is 479-00-5.
What is the molecular formula of Ergometrinine?
The molecular formula of Ergometrinine is C19H23N3O2.
What is the molecular weight of Ergometrinine?
The molecular weight of Ergometrinine is 325.18 g/mol.
Where can I buy Ergometrinine?
You can request a quote for Ergometrinine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ergometrinine?
Yes, KEHONG BIO provides custom synthesis services for Ergometrinine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.