3-甲基-1-丁醇磷酸酯
TL;DR: 3-甲基-1-丁醇磷酸酯 (CAS 2466-67-3) 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.
3-甲基-1-丁醇磷酸酯
3-methylbutyl dihydrogen phosphate
Also Known As: Isoamyl acid phosphate, Isopentyl dihydrogen phosphate, Isoamylphosphorsaeure, Monoisoamyl acid phosphate, 3-methylbutyl dihydrogen phosphate
| Molecular Formula | C5H13O4P |
|---|---|
| Molecular Weight | 168.06 g/mol |
| LogP | 0.1 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 168.05515 |
| Heavy Atoms | 10 |
| Complexity | 128.0 |
Chemical Identifiers
| CAS Number | 2466-67-3 |
|---|---|
| SMILES | CC(C)CCOP(=O)(O)O |
| InChIKey | WCWLEIAMBPYRFJ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-甲基-1-丁醇磷酸酯 (CAS 2466-67-3), with molecular formula C5H13O4P and molecular weight 168.06 g/mol. IUPAC: 3-methylbutyl dihydrogen phosphate.
Chemical Property Profile of 3-甲基-1-丁醇磷酸酯
Property Insights of 3-甲基-1-丁醇磷酸酯
The XLogP value of 0.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基-1-丁醇磷酸酯. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-甲基-1-丁醇磷酸酯. Following Lipinski's Rule of Five, 3-甲基-1-丁醇磷酸酯 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 3-甲基-1-丁醇磷酸酯?
The CAS number of 3-甲基-1-丁醇磷酸酯 is 2466-67-3.
What is the molecular formula of 3-甲基-1-丁醇磷酸酯?
The molecular formula of 3-甲基-1-丁醇磷酸酯 is C5H13O4P.
What is the molecular weight of 3-甲基-1-丁醇磷酸酯?
The molecular weight of 3-甲基-1-丁醇磷酸酯 is 168.06 g/mol.
Where can I buy 3-甲基-1-丁醇磷酸酯?
You can request a quote for 3-甲基-1-丁醇磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基-1-丁醇磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基-1-丁醇磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.