ML 1037
TL;DR: ML 1037 (CAS 47662-72-6) is a chemical compound with molecular formula C23H29ClN2O4 and molecular weight 432.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(diethylamino)ethyl 4-[[2-(2-chlorophenoxy)-2-methylpropanoyl]amino]benzoate
Also Known As: 4-((2-(Chlorophenoxy)-2-methyl-1-oxopropyl)amino)benzoic acid 2-(diethylamino)ethyl ester, Benzoic acid, 4-((2-(chlorophenoxy)-2-methyl-1-oxopropyl)amino)-, 2-(diethylamino)ethyl ester, 2-(diethylamino)ethyl 4-[[2-(2-chlorophenoxy)-2-methylpropanoyl]amino]benzoate, 2-(DIETHYLAMINO)ETHYL 4-[2-(2-CHLOROPHENOXY)-2-METHYLPROPANAMIDO]BENZOATE, 2-diethylaminoethyl 4-[[2-(2-chlorophenoxy)-2-methyl-propanoyl]amino]benzoate
| Molecular Formula | C23H29ClN2O4 |
|---|---|
| Molecular Weight | 432.18 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 67.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 11 |
| Exact Mass | 432.18158 |
| Heavy Atoms | 30 |
| Complexity | 545.0 |
Chemical Identifiers
| CAS Number | 47662-72-6 |
|---|---|
| SMILES | CCN(CC)CCOC(=O)C1=CC=C(C=C1)NC(=O)C(C)(C)OC2=CC=CC=C2Cl |
| InChIKey | NVOZYHBMINYHQA-UHFFFAOYSA-N |
Product Overview
ML 1037 (CAS 47662-72-6), with molecular formula C23H29ClN2O4 and molecular weight 432.18 g/mol. IUPAC: 2-(diethylamino)ethyl 4-[[2-(2-chlorophenoxy)-2-methylpropanoyl]amino]benzoate.
Chemical Property Profile of ML 1037
Property Insights of ML 1037
The XLogP value of 4.6 indicates that ML 1037 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ML 1037. Following Lipinski's Rule of Five, ML 1037 has 1 hydrogen bond donor(s) and 5 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 ML 1037?
The CAS number of ML 1037 is 47662-72-6.
What is the molecular formula of ML 1037?
The molecular formula of ML 1037 is C23H29ClN2O4.
What is the molecular weight of ML 1037?
The molecular weight of ML 1037 is 432.18 g/mol.
Where can I buy ML 1037?
You can request a quote for ML 1037 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ML 1037?
Yes, KEHONG BIO provides custom synthesis services for ML 1037 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.