Phosphoramidic acid, (1-methylethyl)-, ethyl 5-methyl-2-nitrophenyl ester
TL;DR: Phosphoramidic acid, (1-methylethyl)-, ethyl 5-methyl-2-nitrophenyl ester (CAS 76659-95-5) is a chemical compound with molecular formula C12H19N2O5P and molecular weight 302.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[ethoxy-(5-methyl-2-nitrophenoxy)phosphoryl]propan-2-amine
Also Known As: Phosphoramidic acid, (1-methylethyl)-, ethyl 5-methyl-2-nitrophenyl ester, Ethyl 5-methyl-2-nitrophenyl N-(propan-2-yl)phosphoramidate, N-[ethoxy-(5-methyl-2-nitrophenoxy)phosphoryl]propan-2-amine, Ethyl 5-methyl-2-nitrophenyl N-propan-2-ylphosphoramidatato(2-)
| Molecular Formula | C12H19N2O5P |
|---|---|
| Molecular Weight | 302.10 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 93.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.10315 |
| Heavy Atoms | 20 |
| Complexity | 371.0 |
Chemical Identifiers
| CAS Number | 76659-95-5 |
|---|---|
| SMILES | CCOP(=O)(NC(C)C)OC1=C(C=CC(=C1)C)[N+](=O)[O-] |
| InChIKey | RBYXSQQUDIPCLF-UHFFFAOYSA-N |
Product Overview
Phosphoramidic acid, (1-methylethyl)-, ethyl 5-methyl-2-nitrophenyl ester (CAS 76659-95-5), with molecular formula C12H19N2O5P and molecular weight 302.10 g/mol. IUPAC: N-[ethoxy-(5-methyl-2-nitrophenoxy)phosphoryl]propan-2-amine.
Chemical Property Profile of Phosphoramidic acid, (1-methylethyl)-, ethyl 5-methyl-2-nitrophenyl ester
Property Insights of Phosphoramidic acid, (1-methylethyl)-, ethyl 5-methyl-2-nitrophenyl ester
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Phosphoramidic acid, (1-methylethyl)-, ethyl 5-methyl-2-nitrophenyl ester. The TPSA of 93.4 Ų falls within the moderate polarity range, balancing permeability and solubility for Phosphoramidic acid, (1-methylethyl)-, ethyl 5-methyl-2-nitrophenyl ester. Following Lipinski's Rule of Five, Phosphoramidic acid, (1-methylethyl)-, ethyl 5-methyl-2-nitrophenyl ester has 1 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 Phosphoramidic acid, (1-methylethyl)-, ethyl 5-methyl-2-nitrophenyl ester?
The CAS number of Phosphoramidic acid, (1-methylethyl)-, ethyl 5-methyl-2-nitrophenyl ester is 76659-95-5.
What is the molecular formula of Phosphoramidic acid, (1-methylethyl)-, ethyl 5-methyl-2-nitrophenyl ester?
The molecular formula of Phosphoramidic acid, (1-methylethyl)-, ethyl 5-methyl-2-nitrophenyl ester is C12H19N2O5P.
What is the molecular weight of Phosphoramidic acid, (1-methylethyl)-, ethyl 5-methyl-2-nitrophenyl ester?
The molecular weight of Phosphoramidic acid, (1-methylethyl)-, ethyl 5-methyl-2-nitrophenyl ester is 302.10 g/mol.
Where can I buy Phosphoramidic acid, (1-methylethyl)-, ethyl 5-methyl-2-nitrophenyl ester?
You can request a quote for Phosphoramidic acid, (1-methylethyl)-, ethyl 5-methyl-2-nitrophenyl 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, (1-methylethyl)-, ethyl 5-methyl-2-nitrophenyl ester?
Yes, KEHONG BIO provides custom synthesis services for Phosphoramidic acid, (1-methylethyl)-, ethyl 5-methyl-2-nitrophenyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.