Butane, 2-chloro-2-nitroso-
TL;DR: Butane, 2-chloro-2-nitroso- (CAS 681-01-6) is a chemical compound with molecular formula CCC(C)(N=O)Cl 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-2-nitrosobutane
Also Known As: 2-chloro-2-nitrosobutane, Butane, 2-chloro-2-nitroso-, 2-Nitroso-2-chlorobutane, Butane,2-chloro-2-nitroso-, 2-CHLORO-2-NITROSO-BUTANE
| Molecular Formula | CCC(C)(N=O)Cl |
|---|---|
| Molecular Weight | 121.03 g/mol |
| LogP | 1.4 |
| 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 | 76.0 |
Chemical Identifiers
| CAS Number | 681-01-6 |
|---|---|
| SMILES | CCC(C)(N=O)Cl |
| InChIKey | BCGAFIAHVQIIJW-UHFFFAOYSA-N |
Product Overview
Butane, 2-chloro-2-nitroso- (CAS 681-01-6), with molecular formula CCC(C)(N=O)Cl and molecular weight 121.03 g/mol. IUPAC: 2-chloro-2-nitrosobutane.
Chemical Property Profile of Butane, 2-chloro-2-nitroso-
Property Insights of Butane, 2-chloro-2-nitroso-
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butane, 2-chloro-2-nitroso-. With a topological polar surface area (TPSA) of 29.4 Ų, Butane, 2-chloro-2-nitroso- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butane, 2-chloro-2-nitroso- 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 Butane, 2-chloro-2-nitroso-?
The CAS number of Butane, 2-chloro-2-nitroso- is 681-01-6.
What is the molecular formula of Butane, 2-chloro-2-nitroso-?
The molecular formula of Butane, 2-chloro-2-nitroso- is CCC(C)(N=O)Cl.
What is the molecular weight of Butane, 2-chloro-2-nitroso-?
The molecular weight of Butane, 2-chloro-2-nitroso- is 121.03 g/mol.
Where can I buy Butane, 2-chloro-2-nitroso-?
You can request a quote for Butane, 2-chloro-2-nitroso- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Butane, 2-chloro-2-nitroso-?
Yes, KEHONG BIO provides custom synthesis services for Butane, 2-chloro-2-nitroso- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.