N-(alpha)-(N,N-dimethylcarbamoyl)-alpha-azaornithine 4-nitrophenyl ester
TL;DR: N-(alpha)-(N,N-dimethylcarbamoyl)-alpha-azaornithine 4-nitrophenyl ester (CAS 142181-98-4) is a chemical compound with molecular formula C13H19N5O5 and molecular weight 325.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-nitrophenyl) N-(3-aminopropyl)-N-(dimethylcarbamoylamino)carbamate
Also Known As: Ndcaonp, N-(alpha)-(N,N-Dimethylcarbamoyl)-alpha-azaornithine 4-nitrophenyl ester, (4-nitrophenyl) N-(3-aminopropyl)-N-(dimethylcarbamoylamino)carbamate, N2-(Dimethylcarbamoyl)-2-azaornithine p-nitrophenyl ester, N2-(N,N-Dimethylcarbamoyl)-2-azaornithine 4-nitrophenyl ester
| Molecular Formula | C13H19N5O5 |
|---|---|
| Molecular Weight | 325.14 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 134.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 325.1386 |
| Heavy Atoms | 23 |
| Complexity | 417.0 |
Chemical Identifiers
| CAS Number | 142181-98-4 |
|---|---|
| SMILES | CN(C)C(=O)NN(CCCN)C(=O)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | QUMBYYUSJCFGIE-UHFFFAOYSA-N |
Product Overview
N-(alpha)-(N,N-dimethylcarbamoyl)-alpha-azaornithine 4-nitrophenyl ester (CAS 142181-98-4), with molecular formula C13H19N5O5 and molecular weight 325.14 g/mol. IUPAC: (4-nitrophenyl) N-(3-aminopropyl)-N-(dimethylcarbamoylamino)carbamate.
Chemical Property Profile of N-(alpha)-(N,N-dimethylcarbamoyl)-alpha-azaornithine 4-nitrophenyl ester
Property Insights of N-(alpha)-(N,N-dimethylcarbamoyl)-alpha-azaornithine 4-nitrophenyl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N-(alpha)-(N,N-dimethylcarbamoyl)-alpha-azaornithine 4-nitrophenyl ester. The TPSA of 134.0 Ų falls within the moderate polarity range, balancing permeability and solubility for N-(alpha)-(N,N-dimethylcarbamoyl)-alpha-azaornithine 4-nitrophenyl ester. Following Lipinski's Rule of Five, N-(alpha)-(N,N-dimethylcarbamoyl)-alpha-azaornithine 4-nitrophenyl ester has 2 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 N-(alpha)-(N,N-dimethylcarbamoyl)-alpha-azaornithine 4-nitrophenyl ester?
The CAS number of N-(alpha)-(N,N-dimethylcarbamoyl)-alpha-azaornithine 4-nitrophenyl ester is 142181-98-4.
What is the molecular formula of N-(alpha)-(N,N-dimethylcarbamoyl)-alpha-azaornithine 4-nitrophenyl ester?
The molecular formula of N-(alpha)-(N,N-dimethylcarbamoyl)-alpha-azaornithine 4-nitrophenyl ester is C13H19N5O5.
What is the molecular weight of N-(alpha)-(N,N-dimethylcarbamoyl)-alpha-azaornithine 4-nitrophenyl ester?
The molecular weight of N-(alpha)-(N,N-dimethylcarbamoyl)-alpha-azaornithine 4-nitrophenyl ester is 325.14 g/mol.
Where can I buy N-(alpha)-(N,N-dimethylcarbamoyl)-alpha-azaornithine 4-nitrophenyl ester?
You can request a quote for N-(alpha)-(N,N-dimethylcarbamoyl)-alpha-azaornithine 4-nitrophenyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(alpha)-(N,N-dimethylcarbamoyl)-alpha-azaornithine 4-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for N-(alpha)-(N,N-dimethylcarbamoyl)-alpha-azaornithine 4-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.