![N-((S)-1-(((S)-1-hydroxy-3-methylbutan-2-yl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide structure](/static/products/956/956962-91-7.png)
N-((S)-1-(((S)-1-hydroxy-3-methylbutan-2-yl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
TL;DR: N-((S)-1-(((S)-1-hydroxy-3-methylbutan-2-yl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide (CAS 956962-91-7) is a chemical compound with molecular formula C21H26N4O3 and molecular weight 382.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
Also Known As: N-((S)-1-(((S)-1-hydroxy-3-methylbutan-2-yl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide, N-[(2S)-1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide, N-[(2S)-1-{[(2S)-1-hydroxy-3-methylbutan-2-yl]amino}-1-oxopropan-2-yl]-1-methyl-9H-beta-carboline-3-carboxamide
| Molecular Formula | C21H26N4O3 |
|---|---|
| Molecular Weight | 382.20 g/mol |
| LogP | 2.27592 |
| Topological Polar Surface Area | 107.11 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 382.2005 |
| Heavy Atoms | 28 |
| Complexity | 1025.0856 |
Chemical Identifiers
| CAS Number | 956962-91-7 |
|---|---|
| SMILES | CC1=C2C(=CC(=N1)C(=O)N[C@@H](C)C(=O)N[C@H](CO)C(C)C)C3=CC=CC=C3N2 |
Product Overview
N-((S)-1-(((S)-1-hydroxy-3-methylbutan-2-yl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide (CAS 956962-91-7), with molecular formula C21H26N4O3 and molecular weight 382.20 g/mol. IUPAC: N-[(2S)-1-[[(2S)-1-hydroxy-3-methylbutan-2-yl]amino]-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide.
Chemical Property Profile of N-((S)-1-(((S)-1-hydroxy-3-methylbutan-2-yl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
Property Insights of N-((S)-1-(((S)-1-hydroxy-3-methylbutan-2-yl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
The XLogP value of 2.27592 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-((S)-1-(((S)-1-hydroxy-3-methylbutan-2-yl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide. The TPSA of 107.11 Ų falls within the moderate polarity range, balancing permeability and solubility for N-((S)-1-(((S)-1-hydroxy-3-methylbutan-2-yl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide. Following Lipinski's Rule of Five, N-((S)-1-(((S)-1-hydroxy-3-methylbutan-2-yl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide has 4 hydrogen bond donor(s) and 4 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 N-((S)-1-(((S)-1-hydroxy-3-methylbutan-2-yl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The CAS number of N-((S)-1-(((S)-1-hydroxy-3-methylbutan-2-yl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide is 956962-91-7.
What is the molecular formula of N-((S)-1-(((S)-1-hydroxy-3-methylbutan-2-yl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The molecular formula of N-((S)-1-(((S)-1-hydroxy-3-methylbutan-2-yl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide is C21H26N4O3.
What is the molecular weight of N-((S)-1-(((S)-1-hydroxy-3-methylbutan-2-yl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The molecular weight of N-((S)-1-(((S)-1-hydroxy-3-methylbutan-2-yl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide is 382.20 g/mol.
Where can I buy N-((S)-1-(((S)-1-hydroxy-3-methylbutan-2-yl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
You can request a quote for N-((S)-1-(((S)-1-hydroxy-3-methylbutan-2-yl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-((S)-1-(((S)-1-hydroxy-3-methylbutan-2-yl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for N-((S)-1-(((S)-1-hydroxy-3-methylbutan-2-yl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.