2-Chloro-3-nitrosobutane
TL;DR: 2-Chloro-3-nitrosobutane (CAS 44521-34-8) is a chemical compound with molecular formula C4H8ClNO and molecular weight 121.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-nitrosobutane
Also Known As: 2-chloro-3-nitrosobutane, 2-chloro-3-nitroso-butane
| Molecular Formula | C4H8ClNO |
|---|---|
| Molecular Weight | 121.03 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 29.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 121.02944 |
| Heavy Atoms | 7 |
| Complexity | 66.0 |
Chemical Identifiers
| CAS Number | 44521-34-8 |
|---|---|
| SMILES | CC(C(C)Cl)N=O |
| InChIKey | DGBNMQGFLFTDIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-3-nitrosobutane (CAS 44521-34-8), with molecular formula C4H8ClNO and molecular weight 121.03 g/mol. IUPAC: 2-chloro-3-nitrosobutane.
Chemical Property Profile of 2-Chloro-3-nitrosobutane
Property Insights of 2-Chloro-3-nitrosobutane
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Chloro-3-nitrosobutane. With a topological polar surface area (TPSA) of 29.4 Ų, 2-Chloro-3-nitrosobutane exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-nitrosobutane has 0 hydrogen bond donor(s) and 2 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-Chloro-3-nitrosobutane?
The CAS number of 2-Chloro-3-nitrosobutane is 44521-34-8.
What is the molecular formula of 2-Chloro-3-nitrosobutane?
The molecular formula of 2-Chloro-3-nitrosobutane is C4H8ClNO.
What is the molecular weight of 2-Chloro-3-nitrosobutane?
The molecular weight of 2-Chloro-3-nitrosobutane is 121.03 g/mol.
Where can I buy 2-Chloro-3-nitrosobutane?
You can request a quote for 2-Chloro-3-nitrosobutane directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-nitrosobutane?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-nitrosobutane and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.