Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate
TL;DR: Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate (CAS 100811-78-7) is a chemical compound with molecular formula C19H33N2O7P and molecular weight 432.20255 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dihydrogen phosphate;3-piperidin-1-ium-1-ylpropyl 4-amino-2-butoxybenzoate
Also Known As: phosphoricacid, WIN 3502, 4-Amino-2-butoxy-benzoic acid 3-piperidinopropyl ester hydrogen phosphate, BENZOIC ACID, 4-AMINO-2-BUTOXY-, 3-PIPERIDINOPROPYL ESTER, HYDROGEN PHOSPHATE, 1-{3-[(4-amino-2-butoxybenzoyl)oxy]propyl}piperidinium dihydrogen phosphate
Technical Specifications
| Molecular Formula | C19H33N2O7P |
| Molecular Weight | 432.20255 g/mol |
| XLogP | 0.5 |
| Topological Polar Surface Area (TPSA) | 147.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 10 |
| Exact Mass | 432.20255 Da |
| Heavy Atoms | 29 |
| Complexity | 408.0 |
| SMILES | CCCCOC1=C(C=CC(=C1)N)C(=O)OCCC[NH+]2CCCCC2.OP(=O)(O)[O-] |
| InChIKey | JERWAZWOGZRFTL-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate
Property Insights of Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate. The TPSA of 147.0 Ų indicates high polarity, suggesting Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate has 4 hydrogen bond donor(s) and 8 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, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate?
The CAS number of Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate is 100811-78-7.
What is the molecular formula of Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate?
The molecular formula of Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate is C19H33N2O7P.
What is the molecular weight of Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate?
The molecular weight of Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate is 432.20255 g/mol.
Where can I buy Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate?
You can request a quote for Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, 4-amino-2-butoxy-, 3-piperidinopropyl ester, hydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.