1-(6-Methyl-8-beta-didehydroergolenylmethyl)-3-piperidino-sulfonamide
TL;DR: 1-(6-Methyl-8-beta-didehydroergolenylmethyl)-3-piperidino-sulfonamide (CAS 67658-59-7) is a chemical compound with molecular formula C21H28N4O2S and molecular weight 400.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]piperidine-1-sulfonamide
Also Known As: 1-(6-Methyl-8-beta-didehydroergolenylmethyl)-3-piperidino-sulfonamide, 1-Piperidinesulfonamide, N-(((8-beta)-9,10-didehydro-6-methylergolin-8-yl)methyl)-, N-(((8-beta)-9,10-Didehydro-6-methylergolin-8-yl)methyl)-1-piperidinesulfonamide, N-[(6-Methyl-9,10-didehydroergolin-8beta-yl)methyl]piperidine-1-sulfonamide, RefChem:234466
| Molecular Formula | C21H28N4O2S |
|---|---|
| Molecular Weight | 400.19 g/mol |
| LogP | 2.3579 |
| Topological Polar Surface Area | 68.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.1933 |
| Heavy Atoms | 28 |
| Complexity | 1020.20013 |
Chemical Identifiers
| CAS Number | 67658-59-7 |
|---|---|
| SMILES | CN1C[C@@H](C=C2[C@H]1CC3=CNC4=CC=CC2=C34)CNS(=O)(=O)N5CCCCC5 |
Product Overview
1-(6-Methyl-8-beta-didehydroergolenylmethyl)-3-piperidino-sulfonamide (CAS 67658-59-7), with molecular formula C21H28N4O2S and molecular weight 400.19 g/mol. IUPAC: N-[[(6aR,9R)-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinolin-9-yl]methyl]piperidine-1-sulfonamide.
Chemical Property Profile of 1-(6-Methyl-8-beta-didehydroergolenylmethyl)-3-piperidino-sulfonamide
Property Insights of 1-(6-Methyl-8-beta-didehydroergolenylmethyl)-3-piperidino-sulfonamide
The XLogP value of 2.3579 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(6-Methyl-8-beta-didehydroergolenylmethyl)-3-piperidino-sulfonamide. The TPSA of 68.44 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(6-Methyl-8-beta-didehydroergolenylmethyl)-3-piperidino-sulfonamide. Following Lipinski's Rule of Five, 1-(6-Methyl-8-beta-didehydroergolenylmethyl)-3-piperidino-sulfonamide 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 1-(6-Methyl-8-beta-didehydroergolenylmethyl)-3-piperidino-sulfonamide?
The CAS number of 1-(6-Methyl-8-beta-didehydroergolenylmethyl)-3-piperidino-sulfonamide is 67658-59-7.
What is the molecular formula of 1-(6-Methyl-8-beta-didehydroergolenylmethyl)-3-piperidino-sulfonamide?
The molecular formula of 1-(6-Methyl-8-beta-didehydroergolenylmethyl)-3-piperidino-sulfonamide is C21H28N4O2S.
What is the molecular weight of 1-(6-Methyl-8-beta-didehydroergolenylmethyl)-3-piperidino-sulfonamide?
The molecular weight of 1-(6-Methyl-8-beta-didehydroergolenylmethyl)-3-piperidino-sulfonamide is 400.19 g/mol.
Where can I buy 1-(6-Methyl-8-beta-didehydroergolenylmethyl)-3-piperidino-sulfonamide?
You can request a quote for 1-(6-Methyl-8-beta-didehydroergolenylmethyl)-3-piperidino-sulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(6-Methyl-8-beta-didehydroergolenylmethyl)-3-piperidino-sulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(6-Methyl-8-beta-didehydroergolenylmethyl)-3-piperidino-sulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.