6-methyl-8 alpha-N-methylsulfamoylaminoergoline
TL;DR: 6-methyl-8 alpha-N-methylsulfamoylaminoergoline (CAS 88374-72-5) is a chemical compound with molecular formula C16H22N4O2S and molecular weight 334.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aR,9S)-7-methyl-N-(methylsulfamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine
Also Known As: MMSAE, 6-Methyl-8 alpha-N-methylsulfamoylaminoergoline, 1,20-N,N-Bidemethylated mesulergine, N-Methyl-N'-(6-methylergolin-8-yl)sulfuric diamide, Sulfamide, N-methyl-N'-((8alpha)-6-methylergolin-8-yl)-
| Molecular Formula | C16H22N4O2S |
|---|---|
| Molecular Weight | 334.15 g/mol |
| LogP | 1.3 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 334.14636 |
| Heavy Atoms | 23 |
| Complexity | 549.0 |
Chemical Identifiers
| CAS Number | 88374-72-5 |
|---|---|
| SMILES | CNS(=O)(=O)N[C@H]1CC2[C@@H](CC3=CNC4=CC=CC2=C34)N(C1)C |
| InChIKey | LIZLCTQWXZCORY-LKVSRFHLSA-N |
Product Overview
6-methyl-8 alpha-N-methylsulfamoylaminoergoline (CAS 88374-72-5), with molecular formula C16H22N4O2S and molecular weight 334.15 g/mol. IUPAC: (6aR,9S)-7-methyl-N-(methylsulfamoyl)-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinolin-9-amine.
Chemical Property Profile of 6-methyl-8 alpha-N-methylsulfamoylaminoergoline
Property Insights of 6-methyl-8 alpha-N-methylsulfamoylaminoergoline
The XLogP value of 1.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6-methyl-8 alpha-N-methylsulfamoylaminoergoline. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 6-methyl-8 alpha-N-methylsulfamoylaminoergoline. Following Lipinski's Rule of Five, 6-methyl-8 alpha-N-methylsulfamoylaminoergoline has 3 hydrogen bond donor(s) and 5 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 6-methyl-8 alpha-N-methylsulfamoylaminoergoline?
The CAS number of 6-methyl-8 alpha-N-methylsulfamoylaminoergoline is 88374-72-5.
What is the molecular formula of 6-methyl-8 alpha-N-methylsulfamoylaminoergoline?
The molecular formula of 6-methyl-8 alpha-N-methylsulfamoylaminoergoline is C16H22N4O2S.
What is the molecular weight of 6-methyl-8 alpha-N-methylsulfamoylaminoergoline?
The molecular weight of 6-methyl-8 alpha-N-methylsulfamoylaminoergoline is 334.15 g/mol.
Where can I buy 6-methyl-8 alpha-N-methylsulfamoylaminoergoline?
You can request a quote for 6-methyl-8 alpha-N-methylsulfamoylaminoergoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6-methyl-8 alpha-N-methylsulfamoylaminoergoline?
Yes, KEHONG BIO provides custom synthesis services for 6-methyl-8 alpha-N-methylsulfamoylaminoergoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.