Phosphohomocyclocreatine
TL;DR: Phosphohomocyclocreatine (CAS 84744-77-4) is a chemical compound with molecular formula C6H12N3O5P and molecular weight 237.05 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(2-imino-3-phosphonoimidazolidin-1-yl)propanoic acid
Also Known As: Homocyclocreatine-P, Phosphohomocyclocreatine, 1-Carboxyethyl-2-iminoimidazolidine-3-phosphate, 3-(2-imino-3-phosphonoimidazolidin-1-yl)propanoic acid, 1-Imidazolidinepropanoic acid, 2-imino-3-phosphono-
| Molecular Formula | C6H12N3O5P |
|---|---|
| Molecular Weight | 237.05 g/mol |
| LogP | -2.5 |
| Topological Polar Surface Area | 125.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 237.05145 |
| Heavy Atoms | 15 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 84744-77-4 |
|---|---|
| SMILES | C1CN(C(=N)N1CCC(=O)O)P(=O)(O)O |
| InChIKey | WRNVNPUKSMJQPN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Phosphohomocyclocreatine (CAS 84744-77-4), with molecular formula C6H12N3O5P and molecular weight 237.05 g/mol. IUPAC: 3-(2-imino-3-phosphonoimidazolidin-1-yl)propanoic acid.
Chemical Property Profile of Phosphohomocyclocreatine
Property Insights of Phosphohomocyclocreatine
The XLogP value of -2.5 indicates that Phosphohomocyclocreatine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 125.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphohomocyclocreatine. Following Lipinski's Rule of Five, Phosphohomocyclocreatine has 4 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 Phosphohomocyclocreatine?
The CAS number of Phosphohomocyclocreatine is 84744-77-4.
What is the molecular formula of Phosphohomocyclocreatine?
The molecular formula of Phosphohomocyclocreatine is C6H12N3O5P.
What is the molecular weight of Phosphohomocyclocreatine?
The molecular weight of Phosphohomocyclocreatine is 237.05 g/mol.
Where can I buy Phosphohomocyclocreatine?
You can request a quote for Phosphohomocyclocreatine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphohomocyclocreatine?
Yes, KEHONG BIO provides custom synthesis services for Phosphohomocyclocreatine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.