2甲4氯二乙醇胺盐
TL;DR: 2甲4氯二乙醇胺盐 (CAS 20405-19-0) is a chemical compound with molecular formula C13H20ClNO5 and molecular weight 305.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2甲4氯二乙醇胺盐
2-(4-chloro-2-methylphenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol
Also Known As: MCPA-diolamine, Caswell No. 557E, MCPA-diolamine [ISO], MCPA diethanolamine salt, MCPA diolamine salt
| Molecular Formula | C13H20ClNO5 |
|---|---|
| Molecular Weight | 305.10 g/mol |
| LogP | 0.67 |
| Topological Polar Surface Area | 99.0 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 305.103 |
| Heavy Atoms | 20 |
| Complexity | 213.0 |
Chemical Identifiers
| CAS Number | 20405-19-0 |
|---|---|
| SMILES | CC1=C(C=CC(=C1)Cl)OCC(=O)O.C(CO)NCCO |
| InChIKey | XQAVWNJMMDWIKG-UHFFFAOYSA-N |
Product Overview
2甲4氯二乙醇胺盐 (CAS 20405-19-0), with molecular formula C13H20ClNO5 and molecular weight 305.10 g/mol. IUPAC: 2-(4-chloro-2-methylphenoxy)acetic acid;2-(2-hydroxyethylamino)ethanol.
Chemical Property Profile of 2甲4氯二乙醇胺盐
Property Insights of 2甲4氯二乙醇胺盐
The XLogP value of 0.67 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2甲4氯二乙醇胺盐. The TPSA of 99.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2甲4氯二乙醇胺盐. Following Lipinski's Rule of Five, 2甲4氯二乙醇胺盐 has 4 hydrogen bond donor(s) and 6 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甲4氯二乙醇胺盐?
The CAS number of 2甲4氯二乙醇胺盐 is 20405-19-0.
What is the molecular formula of 2甲4氯二乙醇胺盐?
The molecular formula of 2甲4氯二乙醇胺盐 is C13H20ClNO5.
What is the molecular weight of 2甲4氯二乙醇胺盐?
The molecular weight of 2甲4氯二乙醇胺盐 is 305.10 g/mol.
Where can I buy 2甲4氯二乙醇胺盐?
You can request a quote for 2甲4氯二乙醇胺盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2甲4氯二乙醇胺盐?
Yes, KEHONG BIO provides custom synthesis services for 2甲4氯二乙醇胺盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.