1,3-Propanediol, 2-chloro-2-nitro-
TL;DR: 1,3-Propanediol, 2-chloro-2-nitro- (CAS 5292-65-9) is a chemical compound with molecular formula C3H6ClNO4 and molecular weight 155.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-2-nitropropane-1,3-diol
Also Known As: 2-Chloro-2-nitro-1,3-propanediol, 1,3-Propanediol, 2-chloro-2-nitro-, 2-chloro-2-nitropropane-1,3-diol, 4-01-00-02501 (Beilstein Handbook Reference), BRN 1766489
| Molecular Formula | C3H6ClNO4 |
|---|---|
| Molecular Weight | 155.00 g/mol |
| LogP | -0.8 |
| Topological Polar Surface Area | 86.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 154.99854 |
| Heavy Atoms | 9 |
| Complexity | 107.0 |
Chemical Identifiers
| CAS Number | 5292-65-9 |
|---|---|
| SMILES | C(C(CO)([N+](=O)[O-])Cl)O |
| InChIKey | JVAGPLAZIMCLFQ-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-chloro-2-nitro- (CAS 5292-65-9), with molecular formula C3H6ClNO4 and molecular weight 155.00 g/mol. IUPAC: 2-chloro-2-nitropropane-1,3-diol.
Chemical Property Profile of 1,3-Propanediol, 2-chloro-2-nitro-
Property Insights of 1,3-Propanediol, 2-chloro-2-nitro-
The XLogP value of -0.8 indicates that 1,3-Propanediol, 2-chloro-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-chloro-2-nitro-. Following Lipinski's Rule of Five, 1,3-Propanediol, 2-chloro-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-chloro-2-nitro-?
The CAS number of 1,3-Propanediol, 2-chloro-2-nitro- is 5292-65-9.
What is the molecular formula of 1,3-Propanediol, 2-chloro-2-nitro-?
The molecular formula of 1,3-Propanediol, 2-chloro-2-nitro- is C3H6ClNO4.
What is the molecular weight of 1,3-Propanediol, 2-chloro-2-nitro-?
The molecular weight of 1,3-Propanediol, 2-chloro-2-nitro- is 155.00 g/mol.
Where can I buy 1,3-Propanediol, 2-chloro-2-nitro-?
You can request a quote for 1,3-Propanediol, 2-chloro-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-chloro-2-nitro-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Propanediol, 2-chloro-2-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.