3-Nitrooxypropanol
TL;DR: 3-Nitrooxypropanol (CAS 100502-66-7) is a chemical compound with molecular formula C3H7NO4 and molecular weight 121.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-hydroxypropyl nitrate
Also Known As: Abrucomstat, 3-Nitrooxypropanol, 3-hydroxypropyl Nitrate, 3-Nitroxypropanol, Bovaer
| Molecular Formula | C3H7NO4 |
|---|---|
| Molecular Weight | 121.04 g/mol |
| LogP | -0.4229 |
| Topological Polar Surface Area | 72.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 121.037506 |
| Heavy Atoms | 8 |
| Complexity | 73.68368 |
Chemical Identifiers
| CAS Number | 100502-66-7 |
|---|---|
| SMILES | C(CO)CO[N+](=O)[O-] |
Product Overview
3-Nitrooxypropanol (CAS 100502-66-7), with molecular formula C3H7NO4 and molecular weight 121.04 g/mol. IUPAC: 3-hydroxypropyl nitrate.
Chemical Property Profile of 3-Nitrooxypropanol
Property Insights of 3-Nitrooxypropanol
The XLogP value of -0.4229 indicates that 3-Nitrooxypropanol is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 72.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Nitrooxypropanol. Following Lipinski's Rule of Five, 3-Nitrooxypropanol has 1 hydrogen bond donor(s) and 4 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-Nitrooxypropanol?
The CAS number of 3-Nitrooxypropanol is 100502-66-7.
What is the molecular formula of 3-Nitrooxypropanol?
The molecular formula of 3-Nitrooxypropanol is C3H7NO4.
What is the molecular weight of 3-Nitrooxypropanol?
The molecular weight of 3-Nitrooxypropanol is 121.04 g/mol.
Where can I buy 3-Nitrooxypropanol?
You can request a quote for 3-Nitrooxypropanol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Nitrooxypropanol?
Yes, KEHONG BIO provides custom synthesis services for 3-Nitrooxypropanol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.