1-Chloro-3-nitropropan-2-ol
TL;DR: 1-Chloro-3-nitropropan-2-ol (CAS 20646-94-0) is a chemical compound with molecular formula C3H6ClNO3 and molecular weight 139.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-3-nitropropan-2-ol
Also Known As: 1-chloro-3-nitropropan-2-ol, 2-Propanol,1-chloro-3-nitro-, 1-Chloro-3-nitro-2-propanol, 2-Propanol,1-chloro-3-nitro, 1-CHLORO-3-NITRO-PROPAN-2-OL
| Molecular Formula | C3H6ClNO3 |
|---|---|
| Molecular Weight | 139.00 g/mol |
| LogP | 0.0 |
| Topological Polar Surface Area | 66.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 139.00362 |
| Heavy Atoms | 8 |
| Complexity | 81.0 |
Chemical Identifiers
| CAS Number | 20646-94-0 |
|---|---|
| SMILES | C(C(CCl)O)[N+](=O)[O-] |
| InChIKey | GHOZXWSYKQABAS-UHFFFAOYSA-N |
Product Overview
1-Chloro-3-nitropropan-2-ol (CAS 20646-94-0), with molecular formula C3H6ClNO3 and molecular weight 139.00 g/mol. IUPAC: 1-chloro-3-nitropropan-2-ol.
Chemical Property Profile of 1-Chloro-3-nitropropan-2-ol
Property Insights of 1-Chloro-3-nitropropan-2-ol
The XLogP value of 0.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Chloro-3-nitropropan-2-ol. The TPSA of 66.1 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-Chloro-3-nitropropan-2-ol. Following Lipinski's Rule of Five, 1-Chloro-3-nitropropan-2-ol has 1 hydrogen bond donor(s) and 3 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-Chloro-3-nitropropan-2-ol?
The CAS number of 1-Chloro-3-nitropropan-2-ol is 20646-94-0.
What is the molecular formula of 1-Chloro-3-nitropropan-2-ol?
The molecular formula of 1-Chloro-3-nitropropan-2-ol is C3H6ClNO3.
What is the molecular weight of 1-Chloro-3-nitropropan-2-ol?
The molecular weight of 1-Chloro-3-nitropropan-2-ol is 139.00 g/mol.
Where can I buy 1-Chloro-3-nitropropan-2-ol?
You can request a quote for 1-Chloro-3-nitropropan-2-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Chloro-3-nitropropan-2-ol?
Yes, KEHONG BIO provides custom synthesis services for 1-Chloro-3-nitropropan-2-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.