546C88
TL;DR: 546C88 (CAS 156706-47-7) 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.
(2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid;hydrochloride
Also Known As: Tilarginine hydrochloride, Targinine hydrochloride, L-NMA.HCl, L-NMMA, L-NMMA HCl
| 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 | 193.0 |
Chemical Identifiers
| CAS Number | 156706-47-7 |
|---|---|
| SMILES | CN=C(N)NCCC[C@@H](C(=O)O)N.Cl |
| InChIKey | QYGXVJHXZUSLQC-JEDNCBNOSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
546C88 (CAS 156706-47-7), with molecular formula C7H17ClN4O2 and molecular weight 224.10 g/mol. IUPAC: (2S)-2-amino-5-[(N'-methylcarbamimidoyl)amino]pentanoic acid;hydrochloride.
Chemical Property Profile of 546C88
Property Insights of 546C88
The XLogP value of -0.8656 indicates that 546C88 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 546C88. Following Lipinski's Rule of Five, 546C88 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 546C88?
The CAS number of 546C88 is 156706-47-7.
What is the molecular formula of 546C88?
The molecular formula of 546C88 is C7H17ClN4O2.
What is the molecular weight of 546C88?
The molecular weight of 546C88 is 224.10 g/mol.
Where can I buy 546C88?
You can request a quote for 546C88 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 546C88?
Yes, KEHONG BIO provides custom synthesis services for 546C88 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.