美尔谷林
TL;DR: 美尔谷林 (CAS 17692-51-2) is a chemical compound with molecular formula C25H29N3O2 and molecular weight 403.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
美尔谷林
benzyl N-[(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)methyl]carbamate
Also Known As: metergoline, Liserdol, Metergoline phenylmethyl ester, CAS_17692-51-2, Benzyl ((1,6-dimethylergolin-8-yl)methyl)carbamate
| Molecular Formula | C25H29N3O2 |
|---|---|
| Molecular Weight | 403.23 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 403.22598 |
| Heavy Atoms | 30 |
| Complexity | 607.0 |
Chemical Identifiers
| CAS Number | 17692-51-2 |
|---|---|
| SMILES | CN1CC(CC2C1CC3=CN(C4=CC=CC2=C34)C)CNC(=O)OCC5=CC=CC=C5 |
| InChIKey | WZHJKEUHNJHDLS-UHFFFAOYSA-N |
Product Overview
美尔谷林 (CAS 17692-51-2), with molecular formula C25H29N3O2 and molecular weight 403.23 g/mol. IUPAC: benzyl N-[(4,7-dimethyl-6,6a,8,9,10,10a-hexahydroindolo[4,3-fg]quinolin-9-yl)methyl]carbamate.
Chemical Property Profile of 美尔谷林
Property Insights of 美尔谷林
The XLogP value of 3.8 indicates that 甲麦角林 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 美尔谷林 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲麦角林 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 甲麦角林?
The CAS number of 甲麦角林 is 17692-51-2.
What is the molecular formula of 甲麦角林?
The molecular formula of 甲麦角林 is C25H29N3O2.
What is the molecular weight of 甲麦角林?
The molecular weight of 甲麦角林 is 403.23 g/mol.
Where can I buy 甲麦角林?
You can request a quote for 甲麦角林 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲麦角林?
Yes, KEHONG BIO provides custom synthesis services for 甲麦角林 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.