丁三醇三硝酸酯
TL;DR: 丁三醇三硝酸酯 (CAS 6659-60-5) is a chemical compound with molecular formula C4H7N3O9 and molecular weight 241.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丁三醇三硝酸酯
1,4-dinitrooxybutan-2-yl nitrate
Also Known As: 1,2,4-Butanetriol trinitrate, BTTN, butanetrioltrinitrate, 1,2,4-Butanetriol, trinitrate, Butane-1,2,4-triyl nitrate
| Molecular Formula | C4H7N3O9 |
|---|---|
| Molecular Weight | 241.02 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 165.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 241.01823 |
| Heavy Atoms | 16 |
| Complexity | 251.0 |
Chemical Identifiers
| CAS Number | 6659-60-5 |
|---|---|
| SMILES | C(CO[N+](=O)[O-])C(CO[N+](=O)[O-])O[N+](=O)[O-] |
| InChIKey | RDLIBIDNLZPAQD-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁三醇三硝酸酯 (CAS 6659-60-5), with molecular formula C4H7N3O9 and molecular weight 241.02 g/mol. IUPAC: 1,4-dinitrooxybutan-2-yl nitrate.
Chemical Property Profile of 丁三醇三硝酸酯
Property Insights of 丁三醇三硝酸酯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁三醇三硝酸酯. The TPSA of 165.0 Ų indicates high polarity, suggesting 丁三醇三硝酸酯 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 丁三醇三硝酸酯 has 0 hydrogen bond donor(s) and 9 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 丁三醇三硝酸酯?
The CAS number of 丁三醇三硝酸酯 is 6659-60-5.
What is the molecular formula of 丁三醇三硝酸酯?
The molecular formula of 丁三醇三硝酸酯 is C4H7N3O9.
What is the molecular weight of 丁三醇三硝酸酯?
The molecular weight of 丁三醇三硝酸酯 is 241.02 g/mol.
Where can I buy 丁三醇三硝酸酯?
You can request a quote for 丁三醇三硝酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁三醇三硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 丁三醇三硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.