N-(N-Phosphonocarbamimidoyl)-beta-alanine
TL;DR: N-(N-Phosphonocarbamimidoyl)-beta-alanine (CAS 55601-59-7) is a chemical compound with molecular formula C4H10N3O5P and molecular weight 211.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-[[amino-(phosphonoamino)methylidene]amino]propanoic acid
Also Known As: 3-(2-Phosphonoguanidino)propionic acid, N-(N-Phosphonocarbamimidoyl)-beta-alanine, J1.538.480H, N-[Imino(phosphonoamino)methyl]-I(2)-alanine, 3-(N''-phosphonocarbamimidamido)propanoic acid
| Molecular Formula | C4H10N3O5P |
|---|---|
| Molecular Weight | 211.04 g/mol |
| LogP | -1.5419 |
| Topological Polar Surface Area | 145.24 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 211.03581 |
| Heavy Atoms | 13 |
| Complexity | 258.50513 |
Chemical Identifiers
| CAS Number | 55601-59-7 |
|---|---|
| SMILES | C(CN=C(N)NP(=O)(O)O)C(=O)O |
Product Overview
N-(N-Phosphonocarbamimidoyl)-beta-alanine (CAS 55601-59-7), with molecular formula C4H10N3O5P and molecular weight 211.04 g/mol. IUPAC: 3-[[amino-(phosphonoamino)methylidene]amino]propanoic acid.
Chemical Property Profile of N-(N-Phosphonocarbamimidoyl)-beta-alanine
Property Insights of N-(N-Phosphonocarbamimidoyl)-beta-alanine
The XLogP value of -1.5419 indicates that N-(N-Phosphonocarbamimidoyl)-beta-alanine is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.24 Ų indicates high polarity, suggesting N-(N-Phosphonocarbamimidoyl)-beta-alanine may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, N-(N-Phosphonocarbamimidoyl)-beta-alanine has 5 hydrogen bond donor(s) and 3 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 N-(N-Phosphonocarbamimidoyl)-beta-alanine?
The CAS number of N-(N-Phosphonocarbamimidoyl)-beta-alanine is 55601-59-7.
What is the molecular formula of N-(N-Phosphonocarbamimidoyl)-beta-alanine?
The molecular formula of N-(N-Phosphonocarbamimidoyl)-beta-alanine is C4H10N3O5P.
What is the molecular weight of N-(N-Phosphonocarbamimidoyl)-beta-alanine?
The molecular weight of N-(N-Phosphonocarbamimidoyl)-beta-alanine is 211.04 g/mol.
Where can I buy N-(N-Phosphonocarbamimidoyl)-beta-alanine?
You can request a quote for N-(N-Phosphonocarbamimidoyl)-beta-alanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-(N-Phosphonocarbamimidoyl)-beta-alanine?
Yes, KEHONG BIO provides custom synthesis services for N-(N-Phosphonocarbamimidoyl)-beta-alanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.