methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate
TL;DR: methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate (CAS 171489-57-9) is a chemical compound with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate
Also Known As: Methyl N-(1,3-benzodioxol-5-ylcarbonyl)-D-tryptophanate, (R)-Nalpha -(3,4-Methylenedioxyphenylcarbonyl)-tryptophan methyl ester, (R)-Nalpha-(3,4-Methylenedioxyphenylcarbonyl)-tryptophan Methyl Ester, methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate
| Molecular Formula | C20H18N2O5 |
|---|---|
| Molecular Weight | 366.12 g/mol |
| LogP | 2.4107 |
| Topological Polar Surface Area | 89.65 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 366.12158 |
| Heavy Atoms | 27 |
| Complexity | 1010.52966 |
Chemical Identifiers
| CAS Number | 171489-57-9 |
|---|---|
| SMILES | COC(=O)[C@@H](CC1=CNC2=CC=CC=C21)NC(=O)C3=CC4=C(C=C3)OCO4 |
Product Overview
methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate (CAS 171489-57-9), with molecular formula C20H18N2O5 and molecular weight 366.12 g/mol. IUPAC: methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate.
Chemical Property Profile of methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate
Property Insights of methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate
The XLogP value of 2.4107 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate. The TPSA of 89.65 Ų falls within the moderate polarity range, balancing permeability and solubility for methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate. Following Lipinski's Rule of Five, methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate has 2 hydrogen bond donor(s) and 5 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 (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate?
The CAS number of methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate is 171489-57-9.
What is the molecular formula of methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate?
The molecular formula of methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate is C20H18N2O5.
What is the molecular weight of methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate?
The molecular weight of methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate is 366.12 g/mol.
Where can I buy methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate?
You can request a quote for methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl (2R)-2-(1,3-benzodioxole-5-carbonylamino)-3-(1H-indol-3-yl)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.