1-Methylethyl 4-nitrophenyl P-methylphosphonate
TL;DR: 1-Methylethyl 4-nitrophenyl P-methylphosphonate (CAS 3735-97-5) is a chemical compound with molecular formula C10H14NO5P and molecular weight 259.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[methyl(propan-2-yloxy)phosphoryl]oxy-4-nitrobenzene
Also Known As: 4-Nitrophenyl 2-propylmethylphosphonate, NIMP, IMN-4-NO2Ph, isopropyl (4-nitrophenyl) methylphosphonate, Isopropyl p-nitrophenyl methylphosphonate
| Molecular Formula | C10H14NO5P |
|---|---|
| Molecular Weight | 259.06 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 81.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 259.06097 |
| Heavy Atoms | 17 |
| Complexity | 306.0 |
Chemical Identifiers
| CAS Number | 3735-97-5 |
|---|---|
| SMILES | CC(C)OP(=O)(C)OC1=CC=C(C=C1)[N+](=O)[O-] |
| InChIKey | YSHVIWJFWCEDSQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-Methylethyl 4-nitrophenyl P-methylphosphonate (CAS 3735-97-5), with molecular formula C10H14NO5P and molecular weight 259.06 g/mol. IUPAC: 1-[methyl(propan-2-yloxy)phosphoryl]oxy-4-nitrobenzene.
Chemical Property Profile of 1-Methylethyl 4-nitrophenyl P-methylphosphonate
Property Insights of 1-Methylethyl 4-nitrophenyl P-methylphosphonate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Methylethyl 4-nitrophenyl P-methylphosphonate. The TPSA of 81.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Methylethyl 4-nitrophenyl P-methylphosphonate. Following Lipinski's Rule of Five, 1-Methylethyl 4-nitrophenyl P-methylphosphonate has 0 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 1-Methylethyl 4-nitrophenyl P-methylphosphonate?
The CAS number of 1-Methylethyl 4-nitrophenyl P-methylphosphonate is 3735-97-5.
What is the molecular formula of 1-Methylethyl 4-nitrophenyl P-methylphosphonate?
The molecular formula of 1-Methylethyl 4-nitrophenyl P-methylphosphonate is C10H14NO5P.
What is the molecular weight of 1-Methylethyl 4-nitrophenyl P-methylphosphonate?
The molecular weight of 1-Methylethyl 4-nitrophenyl P-methylphosphonate is 259.06 g/mol.
Where can I buy 1-Methylethyl 4-nitrophenyl P-methylphosphonate?
You can request a quote for 1-Methylethyl 4-nitrophenyl P-methylphosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Methylethyl 4-nitrophenyl P-methylphosphonate?
Yes, KEHONG BIO provides custom synthesis services for 1-Methylethyl 4-nitrophenyl P-methylphosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.