磷酸单戊酯
TL;DR: 磷酸单戊酯 (CAS 12789-46-7) is a chemical compound with molecular formula C5H13O4P and molecular weight 168.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸单戊酯
pentyl dihydrogen phosphate
Also Known As: Pentyl dihydrogen phosphate, Amyl acid phosphate, Monoamyl phosphate, Monopentyl phosphate, amyl phosphate.
| Molecular Formula | C5H13O4P |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 168.05515 |
| Heavy Atoms | 10 |
| Complexity | 119.0 |
Chemical Identifiers
| CAS Number | 12789-46-7 |
|---|---|
| SMILES | CCCCCOP(=O)(O)O |
| InChIKey | NVTPMUHPCAUGCB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磷酸单戊酯 (CAS 12789-46-7), with molecular formula C5H13O4P and molecular weight 168.06 g/mol. IUPAC: pentyl dihydrogen phosphate.
Chemical Property Profile of 磷酸单戊酯
Property Insights of 磷酸单戊酯
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 磷酸单戊酯. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 磷酸单戊酯. Following Lipinski's Rule of Five, 磷酸单戊酯 has 2 hydrogen bond donor(s) and 4 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 磷酸单戊酯?
The CAS number of 磷酸单戊酯 is 12789-46-7.
What is the molecular formula of 磷酸单戊酯?
The molecular formula of 磷酸单戊酯 is C5H13O4P.
What is the molecular weight of 磷酸单戊酯?
The molecular weight of 磷酸单戊酯 is 168.06 g/mol.
Where can I buy 磷酸单戊酯?
You can request a quote for 磷酸单戊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸单戊酯?
Yes, KEHONG BIO provides custom synthesis services for 磷酸单戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.