Ethyl N~2~-benzoyl-N~5~-(diaminomethylidene)ornithinate--hydrogen chloride (1/1)
TL;DR: Ethyl N~2~-benzoyl-N~5~-(diaminomethylidene)ornithinate--hydrogen chloride (1/1) (CAS 128805-94-7) is a chemical compound with molecular formula C15H23ClN4O3 and molecular weight 342.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-benzamido-5-(diaminomethylideneamino)pentanoate;hydrochloride
Also Known As: Bz-Arg-OEt.HCl, BAEE, L-BAEE, Bz-Arg-OEt HCl, Bz-Arg-OEt . HCl
| Molecular Formula | C15H23ClN4O3 |
|---|---|
| Molecular Weight | 342.15 g/mol |
| LogP | 0.8235 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 342.14587 |
| Heavy Atoms | 23 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 128805-94-7 |
|---|---|
| SMILES | CCOC(=O)C(CCCN=C(N)N)NC(=O)C1=CC=CC=C1.Cl |
| InChIKey | HIXDELXKSSLIKB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Ethyl N~2~-benzoyl-N~5~-(diaminomethylidene)ornithinate--hydrogen chloride (1/1) (CAS 128805-94-7), with molecular formula C15H23ClN4O3 and molecular weight 342.15 g/mol. IUPAC: ethyl 2-benzamido-5-(diaminomethylideneamino)pentanoate;hydrochloride.
Chemical Property Profile of Ethyl N~2~-benzoyl-N~5~-(diaminomethylidene)ornithinate--hydrogen chloride (1/1)
Property Insights of Ethyl N~2~-benzoyl-N~5~-(diaminomethylidene)ornithinate--hydrogen chloride (1/1)
The XLogP value of 0.8235 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl N~2~-benzoyl-N~5~-(diaminomethylidene)ornithinate--hydrogen chloride (1/1). The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Ethyl N~2~-benzoyl-N~5~-(diaminomethylidene)ornithinate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, Ethyl N~2~-benzoyl-N~5~-(diaminomethylidene)ornithinate--hydrogen chloride (1/1) has 4 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 Ethyl N~2~-benzoyl-N~5~-(diaminomethylidene)ornithinate--hydrogen chloride (1/1)?
The CAS number of Ethyl N~2~-benzoyl-N~5~-(diaminomethylidene)ornithinate--hydrogen chloride (1/1) is 128805-94-7.
What is the molecular formula of Ethyl N~2~-benzoyl-N~5~-(diaminomethylidene)ornithinate--hydrogen chloride (1/1)?
The molecular formula of Ethyl N~2~-benzoyl-N~5~-(diaminomethylidene)ornithinate--hydrogen chloride (1/1) is C15H23ClN4O3.
What is the molecular weight of Ethyl N~2~-benzoyl-N~5~-(diaminomethylidene)ornithinate--hydrogen chloride (1/1)?
The molecular weight of Ethyl N~2~-benzoyl-N~5~-(diaminomethylidene)ornithinate--hydrogen chloride (1/1) is 342.15 g/mol.
Where can I buy Ethyl N~2~-benzoyl-N~5~-(diaminomethylidene)ornithinate--hydrogen chloride (1/1)?
You can request a quote for Ethyl N~2~-benzoyl-N~5~-(diaminomethylidene)ornithinate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl N~2~-benzoyl-N~5~-(diaminomethylidene)ornithinate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for Ethyl N~2~-benzoyl-N~5~-(diaminomethylidene)ornithinate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.