N(w)-nitroarginine benzyl ester
TL;DR: N(w)-nitroarginine benzyl ester (CAS 10342-07-1) is a chemical compound with molecular formula C13H19N5O4 and molecular weight 309.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzyl (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoate
Also Known As: L-Nabe, H-Arg(NO2)-Obzl, NABE, H-Arg(NO2)OBzl, Arg(NO2)-OBzl
| Molecular Formula | C13H19N5O4 |
|---|---|
| Molecular Weight | 309.14 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 149.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 309.1437 |
| Heavy Atoms | 22 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 10342-07-1 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)[C@H](CCCN=C(N)N[N+](=O)[O-])N |
| InChIKey | FAJFGLZHUIUNSS-NSHDSACASA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
N(w)-nitroarginine benzyl ester (CAS 10342-07-1), with molecular formula C13H19N5O4 and molecular weight 309.14 g/mol. IUPAC: benzyl (2S)-2-amino-5-[[amino(nitramido)methylidene]amino]pentanoate.
Chemical Property Profile of N(w)-nitroarginine benzyl ester
Property Insights of N(w)-nitroarginine benzyl ester
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for N(w)-nitroarginine benzyl ester. The TPSA of 149.0 Ų indicates high polarity, suggesting N(w)-nitroarginine benzyl ester may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N(w)-nitroarginine benzyl ester 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 N(w)-nitroarginine benzyl ester?
The CAS number of N(w)-nitroarginine benzyl ester is 10342-07-1.
What is the molecular formula of N(w)-nitroarginine benzyl ester?
The molecular formula of N(w)-nitroarginine benzyl ester is C13H19N5O4.
What is the molecular weight of N(w)-nitroarginine benzyl ester?
The molecular weight of N(w)-nitroarginine benzyl ester is 309.14 g/mol.
Where can I buy N(w)-nitroarginine benzyl ester?
You can request a quote for N(w)-nitroarginine benzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N(w)-nitroarginine benzyl ester?
Yes, KEHONG BIO provides custom synthesis services for N(w)-nitroarginine benzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.