Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate
TL;DR: Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate (CAS 96183-13-0) is a chemical compound with molecular formula C16H26NO5P and molecular weight 343.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 2-[(butan-2-ylamino)-ethoxyphosphoryl]oxybenzoate
Also Known As: Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate, Benzoic acid, 2-(((2-butylamino)ethoxyphosphinyl)oxy)-, 1-methylethyl ester, Propan-2-yl 2-[(butan-2-ylamino)-ethoxy-phosphoryl]oxybenzoate, propan-2-yl 2-[(butan-2-ylamino)-ethoxyphosphoryl]oxybenzoate, Propan-2-yl 2-({[(butan-2-yl)amino](ethoxy)phosphoryl}oxy)benzoate
| Molecular Formula | C16H26NO5P |
|---|---|
| Molecular Weight | 343.15 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 73.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 343.15485 |
| Heavy Atoms | 23 |
| Complexity | 415.0 |
Chemical Identifiers
| CAS Number | 96183-13-0 |
|---|---|
| SMILES | CCC(C)NP(=O)(OCC)OC1=CC=CC=C1C(=O)OC(C)C |
| InChIKey | AQRBWPHHSRKRSZ-UHFFFAOYSA-N |
Product Overview
Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate (CAS 96183-13-0), with molecular formula C16H26NO5P and molecular weight 343.15 g/mol. IUPAC: propan-2-yl 2-[(butan-2-ylamino)-ethoxyphosphoryl]oxybenzoate.
Chemical Property Profile of Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate
Property Insights of Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate. The TPSA of 73.9 Ų falls within the moderate polarity range, balancing permeability and solubility for Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate. Following Lipinski's Rule of Five, Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate 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 Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate?
The CAS number of Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate is 96183-13-0.
What is the molecular formula of Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate?
The molecular formula of Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate is C16H26NO5P.
What is the molecular weight of Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate?
The molecular weight of Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate is 343.15 g/mol.
Where can I buy Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate?
You can request a quote for Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate?
Yes, KEHONG BIO provides custom synthesis services for Propan-2-yl 2-((butan-2-ylamino)-ethoxyphosphoryl)oxybenzoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.