methyl N-(9H-beta-carbolin-3-ylcarbonyl)-L-phenylalaninate
TL;DR: methyl N-(9H-beta-carbolin-3-ylcarbonyl)-L-phenylalaninate (CAS 100009-07-2) is a chemical compound with molecular formula C22H19N3O3 and molecular weight 373.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2S)-3-phenyl-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoate
Also Known As: methyl N-(9H-beta-carbolin-3-ylcarbonyl)-L-phenylalaninate, (S)-methyl 3-phenyl-2-(9H-pyrido[3,4-b]indole-3-carboxamido)propanoate, methyl (2S)-3-phenyl-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoate
| Molecular Formula | C22H19N3O3 |
|---|---|
| Molecular Weight | 373.14 g/mol |
| LogP | 3.2302 |
| Topological Polar Surface Area | 84.08 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 373.14264 |
| Heavy Atoms | 28 |
| Complexity | 1151.5988 |
Chemical Identifiers
| CAS Number | 100009-07-2 |
|---|---|
| SMILES | COC(=O)[C@H](CC1=CC=CC=C1)NC(=O)C2=NC=C3C(=C2)C4=CC=CC=C4N3 |
Product Overview
methyl N-(9H-beta-carbolin-3-ylcarbonyl)-L-phenylalaninate (CAS 100009-07-2), with molecular formula C22H19N3O3 and molecular weight 373.14 g/mol. IUPAC: methyl (2S)-3-phenyl-2-(9H-pyrido[3,4-b]indole-3-carbonylamino)propanoate.
Chemical Property Profile of methyl N-(9H-beta-carbolin-3-ylcarbonyl)-L-phenylalaninate
Property Insights of methyl N-(9H-beta-carbolin-3-ylcarbonyl)-L-phenylalaninate
The XLogP value of 3.2302 indicates that methyl N-(9H-beta-carbolin-3-ylcarbonyl)-L-phenylalaninate 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-(9H-beta-carbolin-3-ylcarbonyl)-L-phenylalaninate. Following Lipinski's Rule of Five, methyl N-(9H-beta-carbolin-3-ylcarbonyl)-L-phenylalaninate 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-(9H-beta-carbolin-3-ylcarbonyl)-L-phenylalaninate?
The CAS number of methyl N-(9H-beta-carbolin-3-ylcarbonyl)-L-phenylalaninate is 100009-07-2.
What is the molecular formula of methyl N-(9H-beta-carbolin-3-ylcarbonyl)-L-phenylalaninate?
The molecular formula of methyl N-(9H-beta-carbolin-3-ylcarbonyl)-L-phenylalaninate is C22H19N3O3.
What is the molecular weight of methyl N-(9H-beta-carbolin-3-ylcarbonyl)-L-phenylalaninate?
The molecular weight of methyl N-(9H-beta-carbolin-3-ylcarbonyl)-L-phenylalaninate is 373.14 g/mol.
Where can I buy methyl N-(9H-beta-carbolin-3-ylcarbonyl)-L-phenylalaninate?
You can request a quote for methyl N-(9H-beta-carbolin-3-ylcarbonyl)-L-phenylalaninate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl N-(9H-beta-carbolin-3-ylcarbonyl)-L-phenylalaninate?
Yes, KEHONG BIO provides custom synthesis services for methyl N-(9H-beta-carbolin-3-ylcarbonyl)-L-phenylalaninate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.