Methyl 2-(diethoxyphosphorylamino)benzoate
TL;DR: Methyl 2-(diethoxyphosphorylamino)benzoate (CAS 22700-45-4) is a chemical compound with molecular formula C12H18NO5P and molecular weight 287.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-(diethoxyphosphorylamino)benzoate
Also Known As: methyl 2-(diethoxyphosphorylamino)benzoate, METHYL 2-[(DIETHOXYPHOSPHORYL)AMINO]BENZOATE, BENZOICACID, 2-[(DIETHOXYPHOSPHINYL)AMINO]-, METHYL ESTER
| Molecular Formula | C12H18NO5P |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 287.09225 |
| Heavy Atoms | 19 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 22700-45-4 |
|---|---|
| SMILES | CCOP(=O)(NC1=CC=CC=C1C(=O)OC)OCC |
| InChIKey | UTAXZSOBOWUCSQ-UHFFFAOYSA-N |
Product Overview
Methyl 2-(diethoxyphosphorylamino)benzoate (CAS 22700-45-4), with molecular formula C12H18NO5P and molecular weight 287.09 g/mol. IUPAC: methyl 2-(diethoxyphosphorylamino)benzoate.
Chemical Property Profile of Methyl 2-(diethoxyphosphorylamino)benzoate
Property Insights of Methyl 2-(diethoxyphosphorylamino)benzoate
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 2-(diethoxyphosphorylamino)benzoate. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 2-(diethoxyphosphorylamino)benzoate. Following Lipinski's Rule of Five, Methyl 2-(diethoxyphosphorylamino)benzoate 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 Methyl 2-(diethoxyphosphorylamino)benzoate?
The CAS number of Methyl 2-(diethoxyphosphorylamino)benzoate is 22700-45-4.
What is the molecular formula of Methyl 2-(diethoxyphosphorylamino)benzoate?
The molecular formula of Methyl 2-(diethoxyphosphorylamino)benzoate is C12H18NO5P.
What is the molecular weight of Methyl 2-(diethoxyphosphorylamino)benzoate?
The molecular weight of Methyl 2-(diethoxyphosphorylamino)benzoate is 287.09 g/mol.
Where can I buy Methyl 2-(diethoxyphosphorylamino)benzoate?
You can request a quote for Methyl 2-(diethoxyphosphorylamino)benzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 2-(diethoxyphosphorylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 2-(diethoxyphosphorylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.