Diethyl 2-(acetylamino)-2-((5-amino-1H-indol-3-yl)methyl)malonate
TL;DR: Diethyl 2-(acetylamino)-2-((5-amino-1H-indol-3-yl)methyl)malonate (CAS 86126-06-9) is a chemical compound with molecular formula C18H23N3O5 and molecular weight 361.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 2-acetamido-2-[(5-amino-1H-indol-3-yl)methyl]propanedioate
Also Known As: hexyl tert-butylcarbamate, NCIOpen2_008125, Diethyl 2-(acetylamino)-2-((5-amino-1H-indol-3-yl)methyl)malonate, diethyl 2-acetamido-2-[(5-amino-1H-indol-3-yl)methyl]propanedioate, diethyl(acetylamino)[(5-amino-1h-indol-3-yl)methyl]propanedioate
| Molecular Formula | C18H23N3O5 |
|---|---|
| Molecular Weight | 361.16 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 361.16376 |
| Heavy Atoms | 26 |
| Complexity | 521.0 |
Chemical Identifiers
| CAS Number | 86126-06-9 |
|---|---|
| SMILES | CCOC(=O)C(CC1=CNC2=C1C=C(C=C2)N)(C(=O)OCC)NC(=O)C |
| InChIKey | LMIVCDUFWCNZDD-UHFFFAOYSA-N |
Product Overview
Diethyl 2-(acetylamino)-2-((5-amino-1H-indol-3-yl)methyl)malonate (CAS 86126-06-9), with molecular formula C18H23N3O5 and molecular weight 361.16 g/mol. IUPAC: diethyl 2-acetamido-2-[(5-amino-1H-indol-3-yl)methyl]propanedioate.
Chemical Property Profile of Diethyl 2-(acetylamino)-2-((5-amino-1H-indol-3-yl)methyl)malonate
Property Insights of Diethyl 2-(acetylamino)-2-((5-amino-1H-indol-3-yl)methyl)malonate
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Diethyl 2-(acetylamino)-2-((5-amino-1H-indol-3-yl)methyl)malonate. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Diethyl 2-(acetylamino)-2-((5-amino-1H-indol-3-yl)methyl)malonate. Following Lipinski's Rule of Five, Diethyl 2-(acetylamino)-2-((5-amino-1H-indol-3-yl)methyl)malonate has 3 hydrogen bond donor(s) and 6 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 Diethyl 2-(acetylamino)-2-((5-amino-1H-indol-3-yl)methyl)malonate?
The CAS number of Diethyl 2-(acetylamino)-2-((5-amino-1H-indol-3-yl)methyl)malonate is 86126-06-9.
What is the molecular formula of Diethyl 2-(acetylamino)-2-((5-amino-1H-indol-3-yl)methyl)malonate?
The molecular formula of Diethyl 2-(acetylamino)-2-((5-amino-1H-indol-3-yl)methyl)malonate is C18H23N3O5.
What is the molecular weight of Diethyl 2-(acetylamino)-2-((5-amino-1H-indol-3-yl)methyl)malonate?
The molecular weight of Diethyl 2-(acetylamino)-2-((5-amino-1H-indol-3-yl)methyl)malonate is 361.16 g/mol.
Where can I buy Diethyl 2-(acetylamino)-2-((5-amino-1H-indol-3-yl)methyl)malonate?
You can request a quote for Diethyl 2-(acetylamino)-2-((5-amino-1H-indol-3-yl)methyl)malonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 2-(acetylamino)-2-((5-amino-1H-indol-3-yl)methyl)malonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 2-(acetylamino)-2-((5-amino-1H-indol-3-yl)methyl)malonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.