2-甲基-2-硝基-1,3-丙二醇二硝酸酯
TL;DR: 2-甲基-2-硝基-1,3-丙二醇二硝酸酯 (CAS 4055-94-1) is a chemical compound with molecular formula C4H7N3O8 and molecular weight 225.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-甲基-2-硝基-1,3-丙二醇二硝酸酯
(2-methyl-2-nitro-3-nitrooxypropyl) nitrate
Also Known As: Ex155, 1,3-Propanediol, 2-methyl-2-nitro-, dinitrate, 2-Nitro-2-methyl-1,3-propanediol dinitrate, (2-methyl-2-nitro-3-nitrooxypropyl) nitrate, 2-Methyl-2-nitro-1,3-propanediol dinitrate
| Molecular Formula | C4H7N3O8 |
|---|---|
| Molecular Weight | 225.02 g/mol |
| LogP | 0.8 |
| Topological Polar Surface Area | 156.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 4 |
| Exact Mass | 225.02332 |
| Heavy Atoms | 15 |
| Complexity | 243.0 |
Chemical Identifiers
| CAS Number | 4055-94-1 |
|---|---|
| SMILES | CC(CO[N+](=O)[O-])(CO[N+](=O)[O-])[N+](=O)[O-] |
| InChIKey | PNEVRNLRPGLOIP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-甲基-2-硝基-1,3-丙二醇二硝酸酯 (CAS 4055-94-1), with molecular formula C4H7N3O8 and molecular weight 225.02 g/mol. IUPAC: (2-methyl-2-nitro-3-nitrooxypropyl) nitrate.
Chemical Property Profile of 2-甲基-2-硝基-1,3-丙二醇二硝酸酯
Property Insights of 2-甲基-2-硝基-1,3-丙二醇二硝酸酯
The XLogP value of 0.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-甲基-2-硝基-1,3-丙二醇二硝酸酯. The TPSA of 156.0 Ų indicates high polarity, suggesting 2-甲基-2-硝基-1,3-丙二醇二硝酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 2-甲基-2-硝基-1,3-丙二醇二硝酸酯 has 0 hydrogen bond donor(s) and 8 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 2-甲基-2-硝基-1,3-丙二醇二硝酸酯?
The CAS number of 2-甲基-2-硝基-1,3-丙二醇二硝酸酯 is 4055-94-1.
What is the molecular formula of 2-甲基-2-硝基-1,3-丙二醇二硝酸酯?
The molecular formula of 2-甲基-2-硝基-1,3-丙二醇二硝酸酯 is C4H7N3O8.
What is the molecular weight of 2-甲基-2-硝基-1,3-丙二醇二硝酸酯?
The molecular weight of 2-甲基-2-硝基-1,3-丙二醇二硝酸酯 is 225.02 g/mol.
Where can I buy 2-甲基-2-硝基-1,3-丙二醇二硝酸酯?
You can request a quote for 2-甲基-2-硝基-1,3-丙二醇二硝酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-甲基-2-硝基-1,3-丙二醇二硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 2-甲基-2-硝基-1,3-丙二醇二硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.