Acetic acid, phosphono-, 1-(phenylmethyl) ester, monoammonium salt
TL;DR: Acetic acid, phosphono-, 1-(phenylmethyl) ester, monoammonium salt (CAS 62591-75-7) is a chemical compound with molecular formula C9H14NO5P and molecular weight 247.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
azane;(2-oxo-2-phenylmethoxyethyl)phosphonic acid
Also Known As: 1-(Phenylmethyl) phosphonoacetate monoammonium salt, azane,(2-oxo-2-phenylmethoxyethyl)phosphonic acid, Acetic acid, phosphono-, 1-(phenylmethyl) ester, monoammonium salt, azane; (2-oxo-2-phenylmethoxyethyl)phosphonic acid, [2-(Benzyloxy)-2-oxoethyl]phosphonic acid--ammonia (1/1)
| Molecular Formula | C9H14NO5P |
|---|---|
| Molecular Weight | 247.06 g/mol |
| LogP | 1.0695 |
| Topological Polar Surface Area | 84.8 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 247.06096 |
| Heavy Atoms | 16 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 62591-75-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)COC(=O)CP(=O)(O)O.N |
| InChIKey | QSAWBEUHJGHROK-UHFFFAOYSA-N |
Product Overview
Acetic acid, phosphono-, 1-(phenylmethyl) ester, monoammonium salt (CAS 62591-75-7), with molecular formula C9H14NO5P and molecular weight 247.06 g/mol. IUPAC: azane;(2-oxo-2-phenylmethoxyethyl)phosphonic acid.
Chemical Property Profile of Acetic acid, phosphono-, 1-(phenylmethyl) ester, monoammonium salt
Property Insights of Acetic acid, phosphono-, 1-(phenylmethyl) ester, monoammonium salt
The XLogP value of 1.0695 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Acetic acid, phosphono-, 1-(phenylmethyl) ester, monoammonium salt. The TPSA of 84.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Acetic acid, phosphono-, 1-(phenylmethyl) ester, monoammonium salt. Following Lipinski's Rule of Five, Acetic acid, phosphono-, 1-(phenylmethyl) ester, monoammonium salt has 3 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 Acetic acid, phosphono-, 1-(phenylmethyl) ester, monoammonium salt?
The CAS number of Acetic acid, phosphono-, 1-(phenylmethyl) ester, monoammonium salt is 62591-75-7.
What is the molecular formula of Acetic acid, phosphono-, 1-(phenylmethyl) ester, monoammonium salt?
The molecular formula of Acetic acid, phosphono-, 1-(phenylmethyl) ester, monoammonium salt is C9H14NO5P.
What is the molecular weight of Acetic acid, phosphono-, 1-(phenylmethyl) ester, monoammonium salt?
The molecular weight of Acetic acid, phosphono-, 1-(phenylmethyl) ester, monoammonium salt is 247.06 g/mol.
Where can I buy Acetic acid, phosphono-, 1-(phenylmethyl) ester, monoammonium salt?
You can request a quote for Acetic acid, phosphono-, 1-(phenylmethyl) ester, monoammonium salt directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Acetic acid, phosphono-, 1-(phenylmethyl) ester, monoammonium salt?
Yes, KEHONG BIO provides custom synthesis services for Acetic acid, phosphono-, 1-(phenylmethyl) ester, monoammonium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.