Butyl 3-hydroxybutyrate
TL;DR: Butyl 3-hydroxybutyrate (CAS 53605-30-4) is a chemical compound with molecular formula C13H21N2O4PS and molecular weight 332.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
di(propan-2-yloxy)-(6-prop-2-enoxypyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane
Also Known As: Butyl 3-hydroxybutyrate, Phosphorothioic acid, O,O-bis(1-methylethyl) O-(6-(2-propenyloxy)-3-pyridazinyl) ester, O,O-Bis(1-methylethyl) O-(6-(2-propenyloxy)-3-pyridazinyl) phosphorothioate, di(propan-2-yloxy)-(6-prop-2-enoxypyridazin-3-yl)oxy-sulfanylidene-, O,O-Di(propan-2-yl) O-{6-[(prop-2-en-1-yl)oxy]pyridazin-3-yl} phosphorothioate
| Molecular Formula | C13H21N2O4PS |
|---|---|
| Molecular Weight | 332.10 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 94.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 332.09598 |
| Heavy Atoms | 21 |
| Complexity | 354.0 |
Chemical Identifiers
| CAS Number | 53605-30-4 |
|---|---|
| SMILES | CC(C)OP(=S)(OC1=NN=C(C=C1)OCC=C)OC(C)C |
| InChIKey | LBBMUZVUHRNZDE-UHFFFAOYSA-N |
Product Overview
Butyl 3-hydroxybutyrate (CAS 53605-30-4), with molecular formula C13H21N2O4PS and molecular weight 332.10 g/mol. IUPAC: di(propan-2-yloxy)-(6-prop-2-enoxypyridazin-3-yl)oxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of Butyl 3-hydroxybutyrate
Property Insights of Butyl 3-hydroxybutyrate
The XLogP value of 3.9 indicates that Butyl 3-hydroxybutyrate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 94.8 Ų falls within the moderate polarity range, balancing permeability and solubility for Butyl 3-hydroxybutyrate. Following Lipinski's Rule of Five, Butyl 3-hydroxybutyrate has 0 hydrogen bond donor(s) and 7 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 Butyl 3-hydroxybutyrate?
The CAS number of Butyl 3-hydroxybutyrate is 53605-30-4.
What is the molecular formula of Butyl 3-hydroxybutyrate?
The molecular formula of Butyl 3-hydroxybutyrate is C13H21N2O4PS.
What is the molecular weight of Butyl 3-hydroxybutyrate?
The molecular weight of Butyl 3-hydroxybutyrate is 332.10 g/mol.
Where can I buy Butyl 3-hydroxybutyrate?
You can request a quote for Butyl 3-hydroxybutyrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butyl 3-hydroxybutyrate?
Yes, KEHONG BIO provides custom synthesis services for Butyl 3-hydroxybutyrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.