2-氯-2-硝基丁醇磷酸酯(3:1)
TL;DR: 2-氯-2-硝基丁醇磷酸酯(3:1) (CAS 64037-38-3) is a chemical compound with molecular formula C12H21Cl3N3O10P and molecular weight 503.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-氯-2-硝基丁醇磷酸酯(3:1)
tris(2-chloro-2-nitrobutyl) phosphate
Also Known As: USAF CS-26, Tris(2-chloro-2-nitro-1-butyl) phosphate, tris(2-chloro-2-nitrobutyl) phosphate, Tris(2-chloro-2-nitrobutyl)phosphate, BUTANOL, 2-CHLORO-2-NITRO-, PHOSPHATE (3:1)
| Molecular Formula | C12H21Cl3N3O10P |
|---|---|
| Molecular Weight | 503.00 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 182.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 12 |
| Exact Mass | 503.00302 |
| Heavy Atoms | 29 |
| Complexity | 571.0 |
Chemical Identifiers
| CAS Number | 64037-38-3 |
|---|---|
| SMILES | CCC(COP(=O)(OCC(CC)([N+](=O)[O-])Cl)OCC(CC)([N+](=O)[O-])Cl)([N+](=O)[O-])Cl |
| InChIKey | RMWZIPNZLJJXGY-UHFFFAOYSA-N |
Product Overview
2-氯-2-硝基丁醇磷酸酯(3:1) (CAS 64037-38-3), with molecular formula C12H21Cl3N3O10P and molecular weight 503.00 g/mol. IUPAC: tris(2-chloro-2-nitrobutyl) phosphate.
Chemical Property Profile of 2-氯-2-硝基丁醇磷酸酯(3:1)
Property Insights of 2-氯-2-硝基丁醇磷酸酯(3:1)
The XLogP value of 3.2 indicates that 2-氯-2-硝基丁醇磷酸酯(3:1) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 182.0 Ų indicates high polarity, suggesting 2-氯-2-硝基丁醇磷酸酯(3:1) may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-氯-2-硝基丁醇磷酸酯(3:1) has 0 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2-氯-2-硝基丁醇磷酸酯(3:1)?
The CAS number of 2-氯-2-硝基丁醇磷酸酯(3:1) is 64037-38-3.
What is the molecular formula of 2-氯-2-硝基丁醇磷酸酯(3:1)?
The molecular formula of 2-氯-2-硝基丁醇磷酸酯(3:1) is C12H21Cl3N3O10P.
What is the molecular weight of 2-氯-2-硝基丁醇磷酸酯(3:1)?
The molecular weight of 2-氯-2-硝基丁醇磷酸酯(3:1) is 503.00 g/mol.
Where can I buy 2-氯-2-硝基丁醇磷酸酯(3:1)?
You can request a quote for 2-氯-2-硝基丁醇磷酸酯(3:1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯-2-硝基丁醇磷酸酯(3:1)?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-2-硝基丁醇磷酸酯(3:1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.