(2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
TL;DR: (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate (CAS 396726-03-7) is a chemical compound with molecular formula C5H12O8P2 and molecular weight 262.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[(E)-4-hydroxy-3-methylbut-2-enyl] phosphono hydrogen phosphate
Also Known As: HMBPP, HMBDP, 1ppw, HDMAPP, HMB-PP
| Molecular Formula | C5H12O8P2 |
|---|---|
| Molecular Weight | 262.00 g/mol |
| LogP | 0.1513 |
| Topological Polar Surface Area | 133.52 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 262.00073 |
| Heavy Atoms | 15 |
| Complexity | 316.9937 |
Chemical Identifiers
| CAS Number | 396726-03-7 |
|---|---|
| SMILES | C/C(=C\COP(=O)(O)OP(=O)(O)O)/CO |
Product Overview
(2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate (CAS 396726-03-7), with molecular formula C5H12O8P2 and molecular weight 262.00 g/mol. IUPAC: [(E)-4-hydroxy-3-methylbut-2-enyl] phosphono hydrogen phosphate.
Chemical Property Profile of (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
Property Insights of (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate
The XLogP value of 0.1513 suggests moderate lipophilicity, balancing water solubility and membrane permeability for (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate. The TPSA of 133.52 Ų falls within the moderate polarity range, balancing permeability and solubility for (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate. Following Lipinski's Rule of Five, (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate has 4 hydrogen bond donor(s) and 5 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 (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate?
The CAS number of (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate is 396726-03-7.
What is the molecular formula of (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate?
The molecular formula of (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate is C5H12O8P2.
What is the molecular weight of (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate?
The molecular weight of (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate is 262.00 g/mol.
Where can I buy (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate?
You can request a quote for (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate?
Yes, KEHONG BIO provides custom synthesis services for (2E)-4-hydroxy-3-methylbut-2-en-1-yl trihydrogen diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.