Homocitrulline
TL;DR: Homocitrulline (CAS 1190-49-4) is a chemical compound with molecular formula C7H15N3O3 and molecular weight 189.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S)-2-amino-6-(carbamoylamino)hexanoic acid
Also Known As: L-Homocitrulline, Homocitrulline, (S)-2-Amino-6-ureidohexanoic acid, h-hocit-oh, Homocitrulline, L-
| Molecular Formula | C7H15N3O3 |
|---|---|
| Molecular Weight | 189.11 g/mol |
| LogP | -3.9 |
| Topological Polar Surface Area | 118.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 189.11134 |
| Heavy Atoms | 13 |
| Complexity | 184.0 |
| Melting Point | 211 - 212 °C |
| Solubility | 600 mg/mL |
Chemical Identifiers
| CAS Number | 1190-49-4 |
|---|---|
| SMILES | C(CCNC(=O)N)C[C@@H](C(=O)O)N |
| InChIKey | XIGSAGMEBXLVJJ-YFKPBYRVSA-N |
Patent-Derived Application Labels
Derived from 14 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Homocitrulline (CAS 1190-49-4), with molecular formula C7H15N3O3 and molecular weight 189.11 g/mol. IUPAC: (2S)-2-amino-6-(carbamoylamino)hexanoic acid.
Chemical Property Profile of Homocitrulline
Property Insights of Homocitrulline
The XLogP value of -3.9 indicates that Homocitrulline is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 118.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Homocitrulline. Following Lipinski's Rule of Five, Homocitrulline 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 Homocitrulline?
The CAS number of Homocitrulline is 1190-49-4.
What is the molecular formula of Homocitrulline?
The molecular formula of Homocitrulline is C7H15N3O3.
What is the molecular weight of Homocitrulline?
The molecular weight of Homocitrulline is 189.11 g/mol.
Where can I buy Homocitrulline?
You can request a quote for Homocitrulline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Homocitrulline?
Yes, KEHONG BIO provides custom synthesis services for Homocitrulline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.