Butan-2-yl dihydrogen phosphate
TL;DR: Butan-2-yl dihydrogen phosphate (CAS 27353-63-5) is a chemical compound with molecular formula C4H11O4P and molecular weight 154.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
butan-2-yl dihydrogen phosphate
Also Known As: butan-2-yl dihydrogen phosphate, sec-butyl dihydrogen phosphate, (butan-2-yloxy)phosphonic acid, Phosphoric acid,mono(1-methylpropyl) ester, Phosphoric acid dihydrogen 1-methylpropyl ester
| Molecular Formula | C4H11O4P |
|---|---|
| Molecular Weight | 154.04 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 66.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 154.03949 |
| Heavy Atoms | 9 |
| Complexity | 118.0 |
Chemical Identifiers
| CAS Number | 27353-63-5 |
|---|---|
| SMILES | CCC(C)OP(=O)(O)O |
| InChIKey | LRNMTOCGEKHHAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 15 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Butan-2-yl dihydrogen phosphate (CAS 27353-63-5), with molecular formula C4H11O4P and molecular weight 154.04 g/mol. IUPAC: butan-2-yl dihydrogen phosphate.
Chemical Property Profile of Butan-2-yl dihydrogen phosphate
Property Insights of Butan-2-yl dihydrogen phosphate
The XLogP value of -0.2 indicates that Butan-2-yl dihydrogen phosphate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Butan-2-yl dihydrogen phosphate. Following Lipinski's Rule of Five, Butan-2-yl dihydrogen phosphate 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 Butan-2-yl dihydrogen phosphate?
The CAS number of Butan-2-yl dihydrogen phosphate is 27353-63-5.
What is the molecular formula of Butan-2-yl dihydrogen phosphate?
The molecular formula of Butan-2-yl dihydrogen phosphate is C4H11O4P.
What is the molecular weight of Butan-2-yl dihydrogen phosphate?
The molecular weight of Butan-2-yl dihydrogen phosphate is 154.04 g/mol.
Where can I buy Butan-2-yl dihydrogen phosphate?
You can request a quote for Butan-2-yl dihydrogen phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butan-2-yl dihydrogen phosphate?
Yes, KEHONG BIO provides custom synthesis services for Butan-2-yl dihydrogen phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.