1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-pyrrolidinosulfonamide
TL;DR: 1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-pyrrolidinosulfonamide (CAS 67658-58-6) 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)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]pyrrolidine-1-sulfonamide
Also Known As: 1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-pyrrolidinosulfonamide, 1-Pyrrolidinesulfonamide, N-(((8-beta)-9,10-didehydro-1,6-dimethylergolin-8-yl)methyl)-, N-(((8-beta)-9,10-Didehydro-1,6-dimethylergolin-8-yl)methyl)-1-pyrrolidinesulfonamide, 1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-piperidinosulfonamide, N-[(1,6-Dimethyl-9,10-didehydroergolin-8-yl)methyl]pyrrolidine-1-sulfonamide
| Molecular Formula | C21H28N4O2S |
|---|---|
| Molecular Weight | 400.19 g/mol |
| LogP | 1.9782 |
| Topological Polar Surface Area | 57.58 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 400.1933 |
| Heavy Atoms | 28 |
| Complexity | 1049.7852 |
Chemical Identifiers
| CAS Number | 67658-58-6 |
|---|---|
| SMILES | CN1C[C@@H](C=C2[C@H]1CC3=CN(C4=CC=CC2=C34)C)CNS(=O)(=O)N5CCCC5 |
Product Overview
1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-pyrrolidinosulfonamide (CAS 67658-58-6), with molecular formula C21H28N4O2S and molecular weight 400.19 g/mol. IUPAC: N-[[(6aR,9R)-4,7-dimethyl-6,6a,8,9-tetrahydroindolo[4,3-fg]quinolin-9-yl]methyl]pyrrolidine-1-sulfonamide.
Chemical Property Profile of 1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-pyrrolidinosulfonamide
Property Insights of 1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-pyrrolidinosulfonamide
The XLogP value of 1.9782 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-pyrrolidinosulfonamide. With a topological polar surface area (TPSA) of 57.58 Ų, 1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-pyrrolidinosulfonamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-pyrrolidinosulfonamide 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 1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-pyrrolidinosulfonamide?
The CAS number of 1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-pyrrolidinosulfonamide is 67658-58-6.
What is the molecular formula of 1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-pyrrolidinosulfonamide?
The molecular formula of 1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-pyrrolidinosulfonamide is C21H28N4O2S.
What is the molecular weight of 1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-pyrrolidinosulfonamide?
The molecular weight of 1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-pyrrolidinosulfonamide is 400.19 g/mol.
Where can I buy 1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-pyrrolidinosulfonamide?
You can request a quote for 1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-pyrrolidinosulfonamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-pyrrolidinosulfonamide?
Yes, KEHONG BIO provides custom synthesis services for 1-(1,6-Dimethyl-8-beta-didehydroergolenylmethyl)-3-pyrrolidinosulfonamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.