3-(Fluoromethyl)-3-butenyl diphosphate
TL;DR: 3-(Fluoromethyl)-3-butenyl diphosphate (CAS 99282-16-3) is a chemical compound with molecular formula C5H11FO7P2 and molecular weight 264.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(fluoromethyl)but-3-enyl phosphono hydrogen phosphate
Also Known As: FIPP, isoquinoline,3-fluoro, 3- -3-butenyldiphosphate, 3-(Fluoromethyl)-3-butenyl diphosphate, 3-(fluoromethyl)but-3-en-1-yl diphosphate
| Molecular Formula | C5H11FO7P2 |
|---|---|
| Molecular Weight | 264.00 g/mol |
| LogP | 1.1285 |
| Topological Polar Surface Area | 113.29 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 263.9964 |
| Heavy Atoms | 15 |
| Complexity | 310.5024 |
Chemical Identifiers
| CAS Number | 99282-16-3 |
|---|---|
| SMILES | C=C(CCOP(=O)(O)OP(=O)(O)O)CF |
Product Overview
3-(Fluoromethyl)-3-butenyl diphosphate (CAS 99282-16-3), with molecular formula C5H11FO7P2 and molecular weight 264.00 g/mol. IUPAC: 3-(fluoromethyl)but-3-enyl phosphono hydrogen phosphate.
Chemical Property Profile of 3-(Fluoromethyl)-3-butenyl diphosphate
Property Insights of 3-(Fluoromethyl)-3-butenyl diphosphate
The XLogP value of 1.1285 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(Fluoromethyl)-3-butenyl diphosphate. The TPSA of 113.29 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(Fluoromethyl)-3-butenyl diphosphate. Following Lipinski's Rule of Five, 3-(Fluoromethyl)-3-butenyl diphosphate has 3 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-(Fluoromethyl)-3-butenyl diphosphate?
The CAS number of 3-(Fluoromethyl)-3-butenyl diphosphate is 99282-16-3.
What is the molecular formula of 3-(Fluoromethyl)-3-butenyl diphosphate?
The molecular formula of 3-(Fluoromethyl)-3-butenyl diphosphate is C5H11FO7P2.
What is the molecular weight of 3-(Fluoromethyl)-3-butenyl diphosphate?
The molecular weight of 3-(Fluoromethyl)-3-butenyl diphosphate is 264.00 g/mol.
Where can I buy 3-(Fluoromethyl)-3-butenyl diphosphate?
You can request a quote for 3-(Fluoromethyl)-3-butenyl diphosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Fluoromethyl)-3-butenyl diphosphate?
Yes, KEHONG BIO provides custom synthesis services for 3-(Fluoromethyl)-3-butenyl diphosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.