1,3-Propanediol, 2-nitro-, sodium salt
TL;DR: 1,3-Propanediol, 2-nitro-, sodium salt (CAS 90059-80-6) is a chemical compound with molecular formula C3H6NNaO4 and molecular weight 143.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
sodium 3-hydroxy-2-nitropropan-1-olate
Also Known As: 2-Nitro-1,3-propanediol sodium salt, sodium 3-hydroxy-2-nitropropan-1-olate, 1,3-Propanediol, 2-nitro-, sodium salt, sodium;3-hydroxy-2-nitropropan-1-olate, Sodium 3-Hydroxy-2-nitro-1-propanolate
| Molecular Formula | C3H6NNaO4 |
|---|---|
| Molecular Weight | 143.02 g/mol |
| LogP | -5.0117 |
| Topological Polar Surface Area | 86.43 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 143.01945 |
| Heavy Atoms | 9 |
| Complexity | 83.881935 |
Chemical Identifiers
| CAS Number | 90059-80-6 |
|---|---|
| SMILES | C(C(C[O-])[N+](=O)[O-])O.[Na+] |
Product Overview
1,3-Propanediol, 2-nitro-, sodium salt (CAS 90059-80-6), with molecular formula C3H6NNaO4 and molecular weight 143.02 g/mol. IUPAC: sodium 3-hydroxy-2-nitropropan-1-olate.
Chemical Property Profile of 1,3-Propanediol, 2-nitro-, sodium salt
Property Insights of 1,3-Propanediol, 2-nitro-, sodium salt
The XLogP value of -5.0117 indicates that 1,3-Propanediol, 2-nitro-, sodium salt is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 86.43 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Propanediol, 2-nitro-, sodium salt. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-nitro-, sodium salt 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 1,3-Propanediol, 2-nitro-, sodium salt?
The CAS number of 1,3-Propanediol, 2-nitro-, sodium salt is 90059-80-6.
What is the molecular formula of 1,3-Propanediol, 2-nitro-, sodium salt?
The molecular formula of 1,3-Propanediol, 2-nitro-, sodium salt is C3H6NNaO4.
What is the molecular weight of 1,3-Propanediol, 2-nitro-, sodium salt?
The molecular weight of 1,3-Propanediol, 2-nitro-, sodium salt is 143.02 g/mol.
Where can I buy 1,3-Propanediol, 2-nitro-, sodium salt?
You can request a quote for 1,3-Propanediol, 2-nitro-, sodium salt 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-, sodium salt?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-nitro-, sodium salt and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.