Chlormequat Chloride
TL;DR: Chlormequat Chloride (CAS 999-81-5) is a chemical compound with molecular formula C5H13Cl2N and molecular weight 157.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloroethyl(trimethyl)azanium chloride
Also Known As: Chlormequat chloride, Chlorocholine chloride, Chlormequat, Antywylegacz, Cycogan
| Molecular Formula | C5H13Cl2N |
|---|---|
| Molecular Weight | 157.04 g/mol |
| LogP | -2.06 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 157.04251 |
| Heavy Atoms | 8 |
| Complexity | 46.0 |
| Melting Point | 245.0 °C Decomposes |
| Density | 1.14 to 1.15 g/mL at 20 °C |
| Solubility | greater than or equal to 100 mg/mL at 73 °F (NTP, 1992) |
| Vapor Pressure | 7.5e-08 mmHg at 20.0 °C |
Chemical Identifiers
| CAS Number | 999-81-5 |
|---|---|
| SMILES | C[N+](C)(C)CCCl.[Cl-] |
| InChIKey | UHZZMRAGKVHANO-UHFFFAOYSA-M |
Patent-Derived Application Labels
Derived from 20 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Chlormequat Chloride (CAS 999-81-5), with molecular formula C5H13Cl2N and molecular weight 157.04 g/mol. IUPAC: 2-chloroethyl(trimethyl)azanium chloride.
Chemical Property Profile of Chlormequat Chloride
Property Insights of Chlormequat Chloride
The XLogP value of -2.06 indicates that Chlormequat Chloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 0.0 Ų, Chlormequat Chloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Chlormequat Chloride has 0 hydrogen bond donor(s) and 1 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 Chlormequat Chloride?
The CAS number of Chlormequat Chloride is 999-81-5.
What is the molecular formula of Chlormequat Chloride?
The molecular formula of Chlormequat Chloride is C5H13Cl2N.
What is the molecular weight of Chlormequat Chloride?
The molecular weight of Chlormequat Chloride is 157.04 g/mol.
Where can I buy Chlormequat Chloride?
You can request a quote for Chlormequat Chloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Chlormequat Chloride?
Yes, KEHONG BIO provides custom synthesis services for Chlormequat Chloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.