美西麦角
TL;DR: 美西麦角 (CAS 361-37-5) is a chemical compound with molecular formula C21H27N3O2 and molecular weight 353.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
美西麦角
N-(1-hydroxybutan-2-yl)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide
Also Known As: methysergide, Deseril, Methysergid, Desernyl, Deseryl
| Molecular Formula | C21H27N3O2 |
|---|---|
| Molecular Weight | 353.21 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 353.21033 |
| Heavy Atoms | 26 |
| Complexity | 578.0 |
Chemical Identifiers
| CAS Number | 361-37-5 |
|---|---|
| SMILES | CCC(CO)NC(=O)C1CN(C2CC3=CN(C4=CC=CC(=C34)C2=C1)C)C |
| InChIKey | KPJZHOPZRAFDTN-UHFFFAOYSA-N |
Product Overview
美西麦角 (CAS 361-37-5), with molecular formula C21H27N3O2 and molecular weight 353.21 g/mol. IUPAC: N-(1-hydroxybutan-2-yl)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of 美西麦角
Property Insights of 美西麦角
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 美西麦角. With a topological polar surface area (TPSA) of 57.5 Ų, 美西麦角 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 美西麦角 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 美西麦角?
The CAS number of 美西麦角 is 361-37-5.
What is the molecular formula of 美西麦角?
The molecular formula of 美西麦角 is C21H27N3O2.
What is the molecular weight of 美西麦角?
The molecular weight of 美西麦角 is 353.21 g/mol.
Where can I buy 美西麦角?
You can request a quote for 美西麦角 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 美西麦角?
Yes, KEHONG BIO provides custom synthesis services for 美西麦角 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.