![methyl N-{[1-(4-fluorophenyl)-9H-beta-carbolin-3-yl]carbonyl}-L-alaninate structure](/static/products/117/1173683-57-2.png)
methyl N-{[1-(4-fluorophenyl)-9H-beta-carbolin-3-yl]carbonyl}-L-alaninate
TL;DR: methyl N-{[1-(4-fluorophenyl)-9H-beta-carbolin-3-yl]carbonyl}-L-alaninate (CAS 1173683-57-2) is a chemical compound with molecular formula C22H18FN3O3 and molecular weight 391.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-2-[[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]propanoate
Also Known As: methyl N-{[1-(4-fluorophenyl)-9H-beta-carbolin-3-yl]carbonyl}-L-alaninate, (S)-methyl 2-(1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carboxamido)propanoate, methyl (2S)-2-[[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]propanoate
| Molecular Formula | C22H18FN3O3 |
|---|---|
| Molecular Weight | 391.13 g/mol |
| LogP | 3.8135 |
| Topological Polar Surface Area | 84.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 391.1332 |
| Heavy Atoms | 29 |
| Complexity | 1231.5072 |
Chemical Identifiers
| CAS Number | 1173683-57-2 |
|---|---|
| SMILES | C[C@@H](C(=O)OC)NC(=O)C1=NC(=C2C(=C1)C3=CC=CC=C3N2)C4=CC=C(C=C4)F |
Product Overview
methyl N-{[1-(4-fluorophenyl)-9H-beta-carbolin-3-yl]carbonyl}-L-alaninate (CAS 1173683-57-2), with molecular formula C22H18FN3O3 and molecular weight 391.13 g/mol. IUPAC: methyl (2S)-2-[[1-(4-fluorophenyl)-9H-pyrido[3,4-b]indole-3-carbonyl]amino]propanoate.
Chemical Property Profile of methyl N-{[1-(4-fluorophenyl)-9H-beta-carbolin-3-yl]carbonyl}-L-alaninate
Property Insights of methyl N-{[1-(4-fluorophenyl)-9H-beta-carbolin-3-yl]carbonyl}-L-alaninate
The XLogP value of 3.8135 indicates that methyl N-{[1-(4-fluorophenyl)-9H-beta-carbolin-3-yl]carbonyl}-L-alaninate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 84.08 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl N-{[1-(4-fluorophenyl)-9H-beta-carbolin-3-yl]carbonyl}-L-alaninate. Following Lipinski's Rule of Five, methyl N-{[1-(4-fluorophenyl)-9H-beta-carbolin-3-yl]carbonyl}-L-alaninate has 2 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 methyl N-{[1-(4-fluorophenyl)-9H-beta-carbolin-3-yl]carbonyl}-L-alaninate?
The CAS number of methyl N-{[1-(4-fluorophenyl)-9H-beta-carbolin-3-yl]carbonyl}-L-alaninate is 1173683-57-2.
What is the molecular formula of methyl N-{[1-(4-fluorophenyl)-9H-beta-carbolin-3-yl]carbonyl}-L-alaninate?
The molecular formula of methyl N-{[1-(4-fluorophenyl)-9H-beta-carbolin-3-yl]carbonyl}-L-alaninate is C22H18FN3O3.
What is the molecular weight of methyl N-{[1-(4-fluorophenyl)-9H-beta-carbolin-3-yl]carbonyl}-L-alaninate?
The molecular weight of methyl N-{[1-(4-fluorophenyl)-9H-beta-carbolin-3-yl]carbonyl}-L-alaninate is 391.13 g/mol.
Where can I buy methyl N-{[1-(4-fluorophenyl)-9H-beta-carbolin-3-yl]carbonyl}-L-alaninate?
You can request a quote for methyl N-{[1-(4-fluorophenyl)-9H-beta-carbolin-3-yl]carbonyl}-L-alaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-{[1-(4-fluorophenyl)-9H-beta-carbolin-3-yl]carbonyl}-L-alaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-{[1-(4-fluorophenyl)-9H-beta-carbolin-3-yl]carbonyl}-L-alaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.