DEHMD
TL;DR: DEHMD (CAS 101411-54-5) is a chemical compound with molecular formula C20H23Cl2NO6 and molecular weight 443.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 5-O-methyl 4-(2,3-dichlorophenyl)-2-(2-hydroxyethoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: DEHMD, 3-O-ethyl 5-O-methyl 4-(2,3-dichlorophenyl)-2-(2-hydroxyethoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate, 4-(2,3-Dichlorophenyl)-3-(ethoxycarbonyl)-2-((2-hydroxyethoxy)methyl)-5-(methoxycarbonyl)-6-methyl-1,4-dihydropyridine, 3,5-Pyridinedicarboxylicacid, 4-(2,3-dichlorophenyl)-1,4-dihydro-2-[(2-hydroxyethoxy)methyl]-6-methyl-,3-ethyl 5-methyl ester, 3-Ethyl 5-methyl 4-(2,3-dichlorophenyl)-2-[(2-hydroxyethoxy)methyl]-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C20H23Cl2NO6 |
|---|---|
| Molecular Weight | 443.09 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 94.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 443.09024 |
| Heavy Atoms | 29 |
| Complexity | 678.0 |
Chemical Identifiers
| CAS Number | 101411-54-5 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=C(C(=CC=C2)Cl)Cl)C(=O)OC)C)COCCO |
| InChIKey | MQOXLIXQAWLBOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
DEHMD (CAS 101411-54-5), with molecular formula C20H23Cl2NO6 and molecular weight 443.09 g/mol. IUPAC: 3-O-ethyl 5-O-methyl 4-(2,3-dichlorophenyl)-2-(2-hydroxyethoxymethyl)-6-methyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of DEHMD
Property Insights of DEHMD
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for DEHMD. The TPSA of 94.1 Ų falls within the moderate polarity range, balancing permeability and solubility for DEHMD. Following Lipinski's Rule of Five, DEHMD has 2 hydrogen bond donor(s) and 7 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 DEHMD?
The CAS number of DEHMD is 101411-54-5.
What is the molecular formula of DEHMD?
The molecular formula of DEHMD is C20H23Cl2NO6.
What is the molecular weight of DEHMD?
The molecular weight of DEHMD is 443.09 g/mol.
Where can I buy DEHMD?
You can request a quote for DEHMD directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for DEHMD?
Yes, KEHONG BIO provides custom synthesis services for DEHMD and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.