Methyl 3-(diethoxyphosphorylamino)benzoate
TL;DR: Methyl 3-(diethoxyphosphorylamino)benzoate (CAS 22700-46-5) 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 3-(diethoxyphosphorylamino)benzoate
Also Known As: methyl 3-(diethoxyphosphorylamino)benzoate, METHYL 3-[(DIETHOXYPHOSPHORYL)AMINO]BENZOATE, BENZOIC ACID,3-[(DIETHOXYPHOSPHINYL)AMINO]-, METHYL ESTER
| Molecular Formula | C12H18NO5P |
|---|---|
| Molecular Weight | 287.09 g/mol |
| LogP | 1.9 |
| 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 | 22700-46-5 |
|---|---|
| SMILES | CCOP(=O)(NC1=CC=CC(=C1)C(=O)OC)OCC |
| InChIKey | MJXOXWZWKOYYIM-UHFFFAOYSA-N |
Product Overview
Methyl 3-(diethoxyphosphorylamino)benzoate (CAS 22700-46-5), with molecular formula C12H18NO5P and molecular weight 287.09 g/mol. IUPAC: methyl 3-(diethoxyphosphorylamino)benzoate.
Chemical Property Profile of Methyl 3-(diethoxyphosphorylamino)benzoate
Property Insights of Methyl 3-(diethoxyphosphorylamino)benzoate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-(diethoxyphosphorylamino)benzoate. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Methyl 3-(diethoxyphosphorylamino)benzoate. Following Lipinski's Rule of Five, Methyl 3-(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 3-(diethoxyphosphorylamino)benzoate?
The CAS number of Methyl 3-(diethoxyphosphorylamino)benzoate is 22700-46-5.
What is the molecular formula of Methyl 3-(diethoxyphosphorylamino)benzoate?
The molecular formula of Methyl 3-(diethoxyphosphorylamino)benzoate is C12H18NO5P.
What is the molecular weight of Methyl 3-(diethoxyphosphorylamino)benzoate?
The molecular weight of Methyl 3-(diethoxyphosphorylamino)benzoate is 287.09 g/mol.
Where can I buy Methyl 3-(diethoxyphosphorylamino)benzoate?
You can request a quote for Methyl 3-(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 3-(diethoxyphosphorylamino)benzoate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-(diethoxyphosphorylamino)benzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.