Benzoic acid, p-amino-, 3-(diethylamino)propyl ester, hydrogen phosphate
TL;DR: Benzoic acid, p-amino-, 3-(diethylamino)propyl ester, hydrogen phosphate (CAS 100811-85-6) is a chemical compound with molecular formula C14H25N2O6P and molecular weight 348.14502 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
3-(4-aminobenzoyl)oxypropyl-diethylazanium;dihydrogen phosphate
Also Known As: WIN 3618, 3-(diethylamino)propyl4-aminobenzoate, p-Aminobenzoic acid 3-(diethylamino)propyl ester hydrogen phosphate, BENZOIC ACID, p-AMINO-, 3-(DIETHYLAMINO)PROPYL ESTER, HYDROGEN PHOSPHATE, 3-(4-aminobenzoyl)oxypropyl-diethylazanium; dihydrogen phosphate
Technical Specifications
| Molecular Formula | C14H25N2O6P |
| Molecular Weight | 348.14502 g/mol |
| XLogP | -0.82 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 348.14502 Da |
| Heavy Atoms | 23 |
| Complexity | 284.0 |
| SMILES | CC[NH+](CC)CCCOC(=O)C1=CC=C(C=C1)N.OP(=O)(O)[O-] |
| InChIKey | IUOITCODAKJFHB-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, p-amino-, 3-(diethylamino)propyl ester, hydrogen phosphate
Property Insights of Benzoic acid, p-amino-, 3-(diethylamino)propyl ester, hydrogen phosphate
The XLogP value of -0.82 indicates that Benzoic acid, p-amino-, 3-(diethylamino)propyl ester, hydrogen phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, p-amino-, 3-(diethylamino)propyl ester, hydrogen phosphate. Following Lipinski's Rule of Five, Benzoic acid, p-amino-, 3-(diethylamino)propyl ester, hydrogen phosphate has 4 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of Benzoic acid, p-amino-, 3-(diethylamino)propyl ester, hydrogen phosphate?
The CAS number of Benzoic acid, p-amino-, 3-(diethylamino)propyl ester, hydrogen phosphate is 100811-85-6.
What is the molecular formula of Benzoic acid, p-amino-, 3-(diethylamino)propyl ester, hydrogen phosphate?
The molecular formula of Benzoic acid, p-amino-, 3-(diethylamino)propyl ester, hydrogen phosphate is C14H25N2O6P.
What is the molecular weight of Benzoic acid, p-amino-, 3-(diethylamino)propyl ester, hydrogen phosphate?
The molecular weight of Benzoic acid, p-amino-, 3-(diethylamino)propyl ester, hydrogen phosphate is 348.14502 g/mol.
Where can I buy Benzoic acid, p-amino-, 3-(diethylamino)propyl ester, hydrogen phosphate?
You can request a quote for Benzoic acid, p-amino-, 3-(diethylamino)propyl ester, hydrogen phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, p-amino-, 3-(diethylamino)propyl ester, hydrogen phosphate?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, p-amino-, 3-(diethylamino)propyl ester, hydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.