1,3-Propanediol, 2-nitro-
TL;DR: 1,3-Propanediol, 2-nitro- (CAS 1794-90-7) 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.
2-nitropropane-1,3-diol
Also Known As: 2-nitropropane-1,3-diol, 2-Nitro-1,3-propanediol, 1,3-Propanediol, 2-nitro-, Glycerol Impurity 3, Iopamidol Impurity 17
| Molecular Formula | C3H7NO4 |
|---|---|
| Molecular Weight | 121.04 g/mol |
| LogP | -1.3 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 121.037506 |
| Heavy Atoms | 8 |
| Complexity | 73.0 |
Chemical Identifiers
| CAS Number | 1794-90-7 |
|---|---|
| SMILES | C(C(CO)[N+](=O)[O-])O |
| InChIKey | YTIXGBHAPNMOKU-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3-Propanediol, 2-nitro- (CAS 1794-90-7), with molecular formula C3H7NO4 and molecular weight 121.04 g/mol. IUPAC: 2-nitropropane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-nitro-
Property Insights of 1,3-Propanediol, 2-nitro-
The XLogP value of -1.3 indicates that 1,3-Propanediol, 2-nitro- is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-nitro-. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-nitro- has 2 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 1,3-Propanediol, 2-nitro-?
The CAS number of 1,3-Propanediol, 2-nitro- is 1794-90-7.
What is the molecular formula of 1,3-Propanediol, 2-nitro-?
The molecular formula of 1,3-Propanediol, 2-nitro- is C3H7NO4.
What is the molecular weight of 1,3-Propanediol, 2-nitro-?
The molecular weight of 1,3-Propanediol, 2-nitro- is 121.04 g/mol.
Where can I buy 1,3-Propanediol, 2-nitro-?
You can request a quote for 1,3-Propanediol, 2-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Propanediol, 2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.