Clonitrate
TL;DR: Clonitrate (CAS 2612-33-1) is a chemical compound with molecular formula C3H5ClN2O6 and molecular weight 199.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-chloro-3-nitrooxypropan-2-yl) nitrate
Also Known As: Clonitrato, Clonitratum, Dylate, dinitrochlorohydrin, Dinitrochlorhydrin
| Molecular Formula | C3H5ClN2O6 |
|---|---|
| Molecular Weight | 199.98 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 199.98361 |
| Heavy Atoms | 12 |
| Complexity | 163.0 |
Chemical Identifiers
| CAS Number | 2612-33-1 |
|---|---|
| SMILES | C(C(CCl)O[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | SUAJWTBTMNHVBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 10 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Clonitrate (CAS 2612-33-1), with molecular formula C3H5ClN2O6 and molecular weight 199.98 g/mol. IUPAC: (1-chloro-3-nitrooxypropan-2-yl) nitrate.
Chemical Property Profile of Clonitrate
Property Insights of Clonitrate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Clonitrate. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Clonitrate. Following Lipinski's Rule of Five, Clonitrate has 0 hydrogen bond donor(s) and 6 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 Clonitrate?
The CAS number of Clonitrate is 2612-33-1.
What is the molecular formula of Clonitrate?
The molecular formula of Clonitrate is C3H5ClN2O6.
What is the molecular weight of Clonitrate?
The molecular weight of Clonitrate is 199.98 g/mol.
Where can I buy Clonitrate?
You can request a quote for Clonitrate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Clonitrate?
Yes, KEHONG BIO provides custom synthesis services for Clonitrate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.