丁烷-2,3-二基二硝酸酯
TL;DR: 丁烷-2,3-二基二硝酸酯 (CAS 6423-45-6) is a chemical compound with molecular formula C4H8N2O6 and molecular weight 180.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁烷-2,3-二基二硝酸酯
3-nitrooxybutan-2-yl nitrate
Also Known As: 2,3-Butanediol, dinitrate, 2,3-butandiol dinitrate, Butane-2,3-diyl dinitrate, 2,3-Butylene glycol dinitrate, 2,3-butanediol dinitrate
| Molecular Formula | C4H8N2O6 |
|---|---|
| Molecular Weight | 180.04 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.03824 |
| Heavy Atoms | 12 |
| Complexity | 151.0 |
Chemical Identifiers
| CAS Number | 6423-45-6 |
|---|---|
| SMILES | CC(C(C)O[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | RVDDYBGRQLZMSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁烷-2,3-二基二硝酸酯 (CAS 6423-45-6), with molecular formula C4H8N2O6 and molecular weight 180.04 g/mol. IUPAC: 3-nitrooxybutan-2-yl nitrate.
Chemical Property Profile of 丁烷-2,3-二基二硝酸酯
Property Insights of 丁烷-2,3-二基二硝酸酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁烷-2,3-二基二硝酸酯. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 丁烷-2,3-二基二硝酸酯. Following Lipinski's Rule of Five, 丁烷-2,3-二基二硝酸酯 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 丁烷-2,3-二基二硝酸酯?
The CAS number of 丁烷-2,3-二基二硝酸酯 is 6423-45-6.
What is the molecular formula of 丁烷-2,3-二基二硝酸酯?
The molecular formula of 丁烷-2,3-二基二硝酸酯 is C4H8N2O6.
What is the molecular weight of 丁烷-2,3-二基二硝酸酯?
The molecular weight of 丁烷-2,3-二基二硝酸酯 is 180.04 g/mol.
Where can I buy 丁烷-2,3-二基二硝酸酯?
You can request a quote for 丁烷-2,3-二基二硝酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁烷-2,3-二基二硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 丁烷-2,3-二基二硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.