2-(Nitrooxy)propan-1-ol
TL;DR: 2-(Nitrooxy)propan-1-ol (CAS 20266-74-4) 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.
1-hydroxypropan-2-yl nitrate
Also Known As: 1,2-Propanediol, 2-nitrate, 1-hydroxypropan-2-yl nitrate, 2-nitrooxy-1-propanol, 2-(nitrooxy)propan-1-ol, 1,2-Propanediol 2-nitrate
| Molecular Formula | C3H7NO4 |
|---|---|
| Molecular Weight | 121.04 g/mol |
| LogP | 0.2 |
| Topological Polar Surface Area | 75.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 121.037506 |
| Heavy Atoms | 8 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 20266-74-4 |
|---|---|
| SMILES | CC(CO)O[N+](=O)[O-] |
| InChIKey | HGCMMKIIGJXXMW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(Nitrooxy)propan-1-ol (CAS 20266-74-4), with molecular formula C3H7NO4 and molecular weight 121.04 g/mol. IUPAC: 1-hydroxypropan-2-yl nitrate.
Chemical Property Profile of 2-(Nitrooxy)propan-1-ol
Property Insights of 2-(Nitrooxy)propan-1-ol
The XLogP value of 0.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Nitrooxy)propan-1-ol. The TPSA of 75.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Nitrooxy)propan-1-ol. Following Lipinski's Rule of Five, 2-(Nitrooxy)propan-1-ol 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 2-(Nitrooxy)propan-1-ol?
The CAS number of 2-(Nitrooxy)propan-1-ol is 20266-74-4.
What is the molecular formula of 2-(Nitrooxy)propan-1-ol?
The molecular formula of 2-(Nitrooxy)propan-1-ol is C3H7NO4.
What is the molecular weight of 2-(Nitrooxy)propan-1-ol?
The molecular weight of 2-(Nitrooxy)propan-1-ol is 121.04 g/mol.
Where can I buy 2-(Nitrooxy)propan-1-ol?
You can request a quote for 2-(Nitrooxy)propan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(Nitrooxy)propan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(Nitrooxy)propan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.