![(6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide structure](/static/products/2947/29477-87-0.webp)
(6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
TL;DR: (6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CAS 29477-87-0) is a chemical compound with molecular formula C20H25N3O2 and molecular weight 339.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Also Known As: Ergoline-8-carboxamide, N-[1-(hydroxymethyl)propyl]-6-methyl-, [5alpha,8alpha(S)]-, Ergoline-8-carboxamide, N-[1-(hydroxymethyl)propyl]-6-methyl-, [5I+/-,8I+/-(S)]-, N-[(2S)-1-Hydroxybutan-2-yl]-6-methyl-5alpha-9,10-didehydroergoline-8alpha-carboxamide
| Molecular Formula | C20H25N3O2 |
|---|---|
| Molecular Weight | 339.19 g/mol |
| LogP | 1.9247 |
| Topological Polar Surface Area | 68.36 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 339.19467 |
| Heavy Atoms | 25 |
| Complexity | 834.57886 |
Chemical Identifiers
| CAS Number | 29477-87-0 |
|---|---|
| SMILES | CC[C@@H](CO)NC(=O)[C@@H]1CN([C@H]2CC3=CNC4=CC=CC(=C34)C2=C1)C |
Product Overview
(6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide (CAS 29477-87-0), with molecular formula C20H25N3O2 and molecular weight 339.19 g/mol. IUPAC: (6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide.
Chemical Property Profile of (6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
Property Insights of (6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide
The XLogP value of 1.9247 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide. The TPSA of 68.36 Ų falls within the moderate polarity range, balancing permeability and solubility for (6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide. Following Lipinski's Rule of Five, (6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide has 3 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 (6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The CAS number of (6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is 29477-87-0.
What is the molecular formula of (6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The molecular formula of (6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is C20H25N3O2.
What is the molecular weight of (6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
The molecular weight of (6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide is 339.19 g/mol.
Where can I buy (6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
You can request a quote for (6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (6aS,9S)-N-[(2S)-1-hydroxybutan-2-yl]-7-methyl-6,6a,8,9-tetrahydro-4H-indolo[4,3-fg]quinoline-9-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.