Phosphoramidic acid, N,N-dimethyl-, cyclic methylene-o-phenylene ester
TL;DR: Phosphoramidic acid, N,N-dimethyl-, cyclic methylene-o-phenylene ester (CAS 1774-97-6) is a chemical compound with molecular formula C9H12NO3P and molecular weight 213.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-amine
Also Known As: Regadenoson Impurity 74, N,N-dimethyl-2-oxo-4H-1,3,2, 4H-1,3,2-Benzodioxaphosphorin, 2-(dimethylamino)-, 2-oxide, N,N-Dimethylphosphoramidic acid cyclic methylene-o-phenylene ester, n,n-dimethyl-4h-1,3,2-benzodioxaphosphinin-2-amine 2-oxide
| Molecular Formula | C9H12NO3P |
|---|---|
| Molecular Weight | 213.06 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 213.05548 |
| Heavy Atoms | 14 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 1774-97-6 |
|---|---|
| SMILES | CN(C)P1(=O)OCC2=CC=CC=C2O1 |
| InChIKey | LGUXMDWHTWQPSN-UHFFFAOYSA-N |
Product Overview
Phosphoramidic acid, N,N-dimethyl-, cyclic methylene-o-phenylene ester (CAS 1774-97-6), with molecular formula C9H12NO3P and molecular weight 213.06 g/mol. IUPAC: N,N-dimethyl-2-oxo-4H-1,3,2λ5-benzodioxaphosphinin-2-amine.
Chemical Property Profile of Phosphoramidic acid, N,N-dimethyl-, cyclic methylene-o-phenylene ester
Property Insights of Phosphoramidic acid, N,N-dimethyl-, cyclic methylene-o-phenylene ester
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoramidic acid, N,N-dimethyl-, cyclic methylene-o-phenylene ester. With a topological polar surface area (TPSA) of 38.8 Ų, Phosphoramidic acid, N,N-dimethyl-, cyclic methylene-o-phenylene ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Phosphoramidic acid, N,N-dimethyl-, cyclic methylene-o-phenylene ester has 0 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 Phosphoramidic acid, N,N-dimethyl-, cyclic methylene-o-phenylene ester?
The CAS number of Phosphoramidic acid, N,N-dimethyl-, cyclic methylene-o-phenylene ester is 1774-97-6.
What is the molecular formula of Phosphoramidic acid, N,N-dimethyl-, cyclic methylene-o-phenylene ester?
The molecular formula of Phosphoramidic acid, N,N-dimethyl-, cyclic methylene-o-phenylene ester is C9H12NO3P.
What is the molecular weight of Phosphoramidic acid, N,N-dimethyl-, cyclic methylene-o-phenylene ester?
The molecular weight of Phosphoramidic acid, N,N-dimethyl-, cyclic methylene-o-phenylene ester is 213.06 g/mol.
Where can I buy Phosphoramidic acid, N,N-dimethyl-, cyclic methylene-o-phenylene ester?
You can request a quote for Phosphoramidic acid, N,N-dimethyl-, cyclic methylene-o-phenylene ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Phosphoramidic acid, N,N-dimethyl-, cyclic methylene-o-phenylene ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoramidic acid, N,N-dimethyl-, cyclic methylene-o-phenylene ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.