![(S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide structure](/static/products/957/957006-35-8.png)
(S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
TL;DR: (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide (CAS 957006-35-8) is a chemical compound with molecular formula C23H21FN4O2 and molecular weight 404.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
Also Known As: (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide, N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide, N-{(2S)-1-[(4-fluorobenzyl)amino]-1-oxopropan-2-yl}-1-methyl-9H-beta-carboline-3-carboxamide
| Molecular Formula | C23H21FN4O2 |
|---|---|
| Molecular Weight | 404.16 g/mol |
| LogP | 3.59832 |
| Topological Polar Surface Area | 86.88 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 404.16486 |
| Heavy Atoms | 30 |
| Complexity | 1247.5264 |
Chemical Identifiers
| CAS Number | 957006-35-8 |
|---|---|
| SMILES | CC1=C2C(=CC(=N1)C(=O)N[C@@H](C)C(=O)NCC3=CC=C(C=C3)F)C4=CC=CC=C4N2 |
Product Overview
(S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide (CAS 957006-35-8), with molecular formula C23H21FN4O2 and molecular weight 404.16 g/mol. IUPAC: N-[(2S)-1-[(4-fluorophenyl)methylamino]-1-oxopropan-2-yl]-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide.
Chemical Property Profile of (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
Property Insights of (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide
The XLogP value of 3.59832 indicates that (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.88 Ų falls within the moderate polarity range, balancing permeability and solubility for (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide. Following Lipinski's Rule of Five, (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-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 (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The CAS number of (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide is 957006-35-8.
What is the molecular formula of (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The molecular formula of (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide is C23H21FN4O2.
What is the molecular weight of (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
The molecular weight of (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide is 404.16 g/mol.
Where can I buy (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
You can request a quote for (S)-N-(1-((4-fluorobenzyl)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 (S)-N-(1-((4-fluorobenzyl)amino)-1-oxopropan-2-yl)-1-methyl-9H-pyrido[3,4-b]indole-3-carboxamide?
Yes, KEHONG BIO provides custom synthesis services for (S)-N-(1-((4-fluorobenzyl)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.