Nbeta-Methyl-beta-arginine
TL;DR: Nbeta-Methyl-beta-arginine (CAS 6658-78-2) is a chemical compound with molecular formula C7H17ClN4O2 and molecular weight 224.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3S)-5-(diaminomethylideneamino)-3-(methylamino)pentanoic acid;hydrochloride
Also Known As: Nbeta-Methyl-beta-arginine, KST-1A7332, (3s)-5-[(diaminomethylidene)amino]-3-(methylamino)pentanoic acid hydrochloride(1:1), (3S)-5-(diaminomethylideneamino)-3-methylamino-pentanoic acid hydrochloride, 5-(diaminomethylideneamino)-3-(methylamino)pentanoic acid,hydrochloride
| Molecular Formula | C7H17ClN4O2 |
|---|---|
| Molecular Weight | 224.10 g/mol |
| LogP | -0.8656 |
| Topological Polar Surface Area | 114.0 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 224.104 |
| Heavy Atoms | 14 |
| Complexity | 189.0 |
Chemical Identifiers
| CAS Number | 6658-78-2 |
|---|---|
| SMILES | CN[C@@H](CCN=C(N)N)CC(=O)O.Cl |
| InChIKey | VELWQICVSBUJTK-JEDNCBNOSA-N |
Product Overview
Nbeta-Methyl-beta-arginine (CAS 6658-78-2), with molecular formula C7H17ClN4O2 and molecular weight 224.10 g/mol. IUPAC: (3S)-5-(diaminomethylideneamino)-3-(methylamino)pentanoic acid;hydrochloride.
Chemical Property Profile of Nbeta-Methyl-beta-arginine
Property Insights of Nbeta-Methyl-beta-arginine
The XLogP value of -0.8656 indicates that Nbeta-Methyl-beta-arginine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 114.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Nbeta-Methyl-beta-arginine. Following Lipinski's Rule of Five, Nbeta-Methyl-beta-arginine has 5 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 Nbeta-Methyl-beta-arginine?
The CAS number of Nbeta-Methyl-beta-arginine is 6658-78-2.
What is the molecular formula of Nbeta-Methyl-beta-arginine?
The molecular formula of Nbeta-Methyl-beta-arginine is C7H17ClN4O2.
What is the molecular weight of Nbeta-Methyl-beta-arginine?
The molecular weight of Nbeta-Methyl-beta-arginine is 224.10 g/mol.
Where can I buy Nbeta-Methyl-beta-arginine?
You can request a quote for Nbeta-Methyl-beta-arginine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nbeta-Methyl-beta-arginine?
Yes, KEHONG BIO provides custom synthesis services for Nbeta-Methyl-beta-arginine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.