2-氯-2-甲基丙醛肟
TL;DR: 2-氯-2-甲基丙醛肟 (CAS 18537-69-4) 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-氯-2-甲基丙醛肟
N-(2-chloro-2-methylpropylidene)hydroxylamine
Also Known As: 2-Chloro-2-methylpropionaldehyde oxime, 2-chloro-2-methylpropanal oxime, N-(2-chloro-2-methylpropylidene)hydroxylamine, Propanal,2-chloro-2-methyl-, oxime, Propanal, 2-chloro-2-methyl-, oxime
| Molecular Formula | C4H8ClNO |
|---|---|
| Molecular Weight | 121.03 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 32.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 121.02944 |
| Heavy Atoms | 7 |
| Complexity | 79.0 |
Chemical Identifiers
| CAS Number | 18537-69-4 |
|---|---|
| SMILES | CC(C)(C=NO)Cl |
| InChIKey | SZGTXZBWWMKXMH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-氯-2-甲基丙醛肟 (CAS 18537-69-4), with molecular formula C4H8ClNO and molecular weight 121.03 g/mol. IUPAC: N-(2-chloro-2-methylpropylidene)hydroxylamine.
Chemical Property Profile of 2-氯-2-甲基丙醛肟
Property Insights of 2-氯-2-甲基丙醛肟
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-氯-2-甲基丙醛肟. With a topological polar surface area (TPSA) of 32.6 Ų, 2-氯-2-甲基丙醛肟 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-氯-2-甲基丙醛肟 has 1 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-氯-2-甲基丙醛肟?
The CAS number of 2-氯-2-甲基丙醛肟 is 18537-69-4.
What is the molecular formula of 2-氯-2-甲基丙醛肟?
The molecular formula of 2-氯-2-甲基丙醛肟 is C4H8ClNO.
What is the molecular weight of 2-氯-2-甲基丙醛肟?
The molecular weight of 2-氯-2-甲基丙醛肟 is 121.03 g/mol.
Where can I buy 2-氯-2-甲基丙醛肟?
You can request a quote for 2-氯-2-甲基丙醛肟 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-氯-2-甲基丙醛肟?
Yes, KEHONG BIO provides custom synthesis services for 2-氯-2-甲基丙醛肟 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.