Guanidinoethyl methyl phosphate
TL;DR: Guanidinoethyl methyl phosphate (CAS 1119-53-5) is a chemical compound with molecular formula C4H12N3O4P and molecular weight 197.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diaminomethylideneamino)ethyl methyl hydrogen phosphate
Also Known As: Opheline, Guanidinoethyl methyl phosphate, Phosphoric acid 2-guanidinoethylmethyl ester, Phosphoric acid methyl 2-guanidinoethyl ester, 2-(diaminomethylideneamino)ethyl methyl hydrogen phosphate
| Molecular Formula | C4H12N3O4P |
|---|---|
| Molecular Weight | 197.06 g/mol |
| LogP | -2.6 |
| Topological Polar Surface Area | 120.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 197.05655 |
| Heavy Atoms | 12 |
| Complexity | 202.0 |
Chemical Identifiers
| CAS Number | 1119-53-5 |
|---|---|
| SMILES | COP(=O)(O)OCCN=C(N)N |
| InChIKey | PTALSLHNZQRENZ-UHFFFAOYSA-N |
Product Overview
Guanidinoethyl methyl phosphate (CAS 1119-53-5), with molecular formula C4H12N3O4P and molecular weight 197.06 g/mol. IUPAC: 2-(diaminomethylideneamino)ethyl methyl hydrogen phosphate.
Chemical Property Profile of Guanidinoethyl methyl phosphate
Property Insights of Guanidinoethyl methyl phosphate
The XLogP value of -2.6 indicates that Guanidinoethyl methyl phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 120.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Guanidinoethyl methyl phosphate. Following Lipinski's Rule of Five, Guanidinoethyl methyl phosphate has 3 hydrogen bond donor(s) and 5 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 Guanidinoethyl methyl phosphate?
The CAS number of Guanidinoethyl methyl phosphate is 1119-53-5.
What is the molecular formula of Guanidinoethyl methyl phosphate?
The molecular formula of Guanidinoethyl methyl phosphate is C4H12N3O4P.
What is the molecular weight of Guanidinoethyl methyl phosphate?
The molecular weight of Guanidinoethyl methyl phosphate is 197.06 g/mol.
Where can I buy Guanidinoethyl methyl phosphate?
You can request a quote for Guanidinoethyl methyl phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Guanidinoethyl methyl phosphate?
Yes, KEHONG BIO provides custom synthesis services for Guanidinoethyl methyl phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.