Tris(2-cyanopropan-2-yl) phosphate
TL;DR: Tris(2-cyanopropan-2-yl) phosphate (CAS 14540-38-6) is a chemical compound with molecular formula C12H18N3O4P and molecular weight 299.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tris(2-cyanopropan-2-yl) phosphate
Also Known As: tris(2-cyanopropan-2-yl) phosphate, tris(a-cyanoisopropyl) phosphate, RefChem:386610
| Molecular Formula | C12H18N3O4P |
|---|---|
| Molecular Weight | 299.10 g/mol |
| LogP | 0.7 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 299.1035 |
| Heavy Atoms | 20 |
| Complexity | 486.0 |
Chemical Identifiers
| CAS Number | 14540-38-6 |
|---|---|
| SMILES | CC(C)(C#N)OP(=O)(OC(C)(C)C#N)OC(C)(C)C#N |
| InChIKey | CKPJXOTWYILLID-UHFFFAOYSA-N |
Product Overview
Tris(2-cyanopropan-2-yl) phosphate (CAS 14540-38-6), with molecular formula C12H18N3O4P and molecular weight 299.10 g/mol. IUPAC: tris(2-cyanopropan-2-yl) phosphate.
Chemical Property Profile of Tris(2-cyanopropan-2-yl) phosphate
Property Insights of Tris(2-cyanopropan-2-yl) phosphate
The XLogP value of 0.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Tris(2-cyanopropan-2-yl) phosphate. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Tris(2-cyanopropan-2-yl) phosphate. Following Lipinski's Rule of Five, Tris(2-cyanopropan-2-yl) phosphate 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 Tris(2-cyanopropan-2-yl) phosphate?
The CAS number of Tris(2-cyanopropan-2-yl) phosphate is 14540-38-6.
What is the molecular formula of Tris(2-cyanopropan-2-yl) phosphate?
The molecular formula of Tris(2-cyanopropan-2-yl) phosphate is C12H18N3O4P.
What is the molecular weight of Tris(2-cyanopropan-2-yl) phosphate?
The molecular weight of Tris(2-cyanopropan-2-yl) phosphate is 299.10 g/mol.
Where can I buy Tris(2-cyanopropan-2-yl) phosphate?
You can request a quote for Tris(2-cyanopropan-2-yl) phosphate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Tris(2-cyanopropan-2-yl) phosphate?
Yes, KEHONG BIO provides custom synthesis services for Tris(2-cyanopropan-2-yl) phosphate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.