3-甲基丁-2-基硝酸酯
TL;DR: 3-甲基丁-2-基硝酸酯 (CAS 123041-25-8) is a chemical compound with molecular formula C5H11NO3 and molecular weight 133.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-甲基丁-2-基硝酸酯
3-methylbutan-2-yl nitrate
Also Known As: 3-methylbutan-2-yl Nitrate, 3-methyl-2-butyl nitrate, 1,2-Dimethylpropylnitrate, 3-methylbutan-2-ylnitrate, 2-Methyl-3-butyl nitrate
| Molecular Formula | C5H11NO3 |
|---|---|
| Molecular Weight | 133.07 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 55.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 133.0739 |
| Heavy Atoms | 9 |
| Complexity | 96.0 |
Chemical Identifiers
| CAS Number | 123041-25-8 |
|---|---|
| SMILES | CC(C)C(C)O[N+](=O)[O-] |
| InChIKey | OTVLXFGCWJFXJU-UHFFFAOYSA-N |
Product Overview
3-甲基丁-2-基硝酸酯 (CAS 123041-25-8), with molecular formula C5H11NO3 and molecular weight 133.07 g/mol. IUPAC: 3-methylbutan-2-yl nitrate.
Chemical Property Profile of 3-甲基丁-2-基硝酸酯
Property Insights of 3-甲基丁-2-基硝酸酯
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-甲基丁-2-基硝酸酯. With a topological polar surface area (TPSA) of 55.1 Ų, 3-甲基丁-2-基硝酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-甲基丁-2-基硝酸酯 has 0 hydrogen bond donor(s) and 3 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 3-甲基丁-2-基硝酸酯?
The CAS number of 3-甲基丁-2-基硝酸酯 is 123041-25-8.
What is the molecular formula of 3-甲基丁-2-基硝酸酯?
The molecular formula of 3-甲基丁-2-基硝酸酯 is C5H11NO3.
What is the molecular weight of 3-甲基丁-2-基硝酸酯?
The molecular weight of 3-甲基丁-2-基硝酸酯 is 133.07 g/mol.
Where can I buy 3-甲基丁-2-基硝酸酯?
You can request a quote for 3-甲基丁-2-基硝酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-甲基丁-2-基硝酸酯?
Yes, KEHONG BIO provides custom synthesis services for 3-甲基丁-2-基硝酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.