Benzoic acid, p-hydroxy-, heptyl ester, dihydrogen phosphate
TL;DR: Benzoic acid, p-hydroxy-, heptyl ester, dihydrogen phosphate (CAS 27864-56-8) is a chemical compound with molecular formula C14H21O6P and molecular weight 316.10757 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
heptyl 4-phosphonooxybenzoate
Also Known As: p-Heptoxycarbonylphenyl phosphate, heptyl 4-phosphonooxybenzoate, 1-Heptyl 4-(phosphonooxy)benzoate, Heptyl 4-(phosphonooxy)benzoate, Benzoic acid, 4-(phosphonooxy)-, 1-heptyl ester
Technical Specifications
| Molecular Formula | C14H21O6P |
| Molecular Weight | 316.10757 g/mol |
| XLogP | 3.5 |
| Topological Polar Surface Area (TPSA) | 93.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 316.10757 Da |
| Heavy Atoms | 21 |
| Complexity | 345.0 |
| SMILES | CCCCCCCOC(=O)C1=CC=C(C=C1)OP(=O)(O)O |
| InChIKey | HRADMCOBKDCLHI-UHFFFAOYSA-N |
Chemical Property Profile of Benzoic acid, p-hydroxy-, heptyl ester, dihydrogen phosphate
Property Insights of Benzoic acid, p-hydroxy-, heptyl ester, dihydrogen phosphate
The XLogP value of 3.5 indicates that Benzoic acid, p-hydroxy-, heptyl ester, dihydrogen phosphate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Benzoic acid, p-hydroxy-, heptyl ester, dihydrogen phosphate. Following Lipinski's Rule of Five, Benzoic acid, p-hydroxy-, heptyl ester, dihydrogen phosphate has 2 hydrogen bond donor(s) and 6 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-hydroxy-, heptyl ester, dihydrogen phosphate?
The CAS number of Benzoic acid, p-hydroxy-, heptyl ester, dihydrogen phosphate is 27864-56-8.
What is the molecular formula of Benzoic acid, p-hydroxy-, heptyl ester, dihydrogen phosphate?
The molecular formula of Benzoic acid, p-hydroxy-, heptyl ester, dihydrogen phosphate is C14H21O6P.
What is the molecular weight of Benzoic acid, p-hydroxy-, heptyl ester, dihydrogen phosphate?
The molecular weight of Benzoic acid, p-hydroxy-, heptyl ester, dihydrogen phosphate is 316.10757 g/mol.
Where can I buy Benzoic acid, p-hydroxy-, heptyl ester, dihydrogen phosphate?
You can request a quote for Benzoic acid, p-hydroxy-, heptyl ester, dihydrogen phosphate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Benzoic acid, p-hydroxy-, heptyl ester, dihydrogen phosphate?
Yes, CoreyChem provides custom synthesis services for Benzoic acid, p-hydroxy-, heptyl ester, dihydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.