Nitromethanetrispropanol
TL;DR: Nitromethanetrispropanol (CAS 116747-80-9) is a chemical compound with molecular formula C10H21NO5 and molecular weight 235.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(3-hydroxypropyl)-4-nitroheptane-1,7-diol
Also Known As: Nitromethanetrispropanol, 3,4-Dibromotoluene, nitro-methanetrispropanol, 4-(3-hydroxypropyl)-4-nitroheptane-1,7-diol, 4-(3-Hydroxypropyl)-4-nitro-1,7-heptanediol
| Molecular Formula | C10H21NO5 |
|---|---|
| Molecular Weight | 235.14 g/mol |
| LogP | 0.3194 |
| Topological Polar Surface Area | 103.83 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 10 |
| Exact Mass | 235.14197 |
| Heavy Atoms | 16 |
| Complexity | 175.87398 |
Chemical Identifiers
| CAS Number | 116747-80-9 |
|---|---|
| SMILES | C(CC(CCCO)(CCCO)[N+](=O)[O-])CO |
Product Overview
Nitromethanetrispropanol (CAS 116747-80-9), with molecular formula C10H21NO5 and molecular weight 235.14 g/mol. IUPAC: 4-(3-hydroxypropyl)-4-nitroheptane-1,7-diol.
Chemical Property Profile of Nitromethanetrispropanol
Property Insights of Nitromethanetrispropanol
The XLogP value of 0.3194 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nitromethanetrispropanol. The TPSA of 103.83 Ų falls within the moderate polarity range, balancing permeability and solubility for Nitromethanetrispropanol. Following Lipinski's Rule of Five, Nitromethanetrispropanol has 3 hydrogen bond donor(s) and 5 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 Nitromethanetrispropanol?
The CAS number of Nitromethanetrispropanol is 116747-80-9.
What is the molecular formula of Nitromethanetrispropanol?
The molecular formula of Nitromethanetrispropanol is C10H21NO5.
What is the molecular weight of Nitromethanetrispropanol?
The molecular weight of Nitromethanetrispropanol is 235.14 g/mol.
Where can I buy Nitromethanetrispropanol?
You can request a quote for Nitromethanetrispropanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nitromethanetrispropanol?
Yes, KEHONG BIO provides custom synthesis services for Nitromethanetrispropanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.