J1.400.616H
TL;DR: J1.400.616H (CAS 10354-33-3) is a chemical compound with molecular formula C21H26BrNO6 and molecular weight 467.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4-(2-bromo-4,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: J1.400.616H, Diethyl 4-(2-bromo-4,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate, diethyl 4-(2-bromo-4,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-Diethyl 4-(2-bromo-4,5-dimethoxyphenyl)-1,4-dihydro-2,6-dimethyl-3,5-pyridinedicarboxylate, Ethyl 4-(2-bromo-4,5-dimethoxyphenyl)-1,4-dihydro-2,6-dimethylpyridine-3,5-dicarboxylate
| Molecular Formula | C21H26BrNO6 |
|---|---|
| Molecular Weight | 467.09 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 83.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 467.09436 |
| Heavy Atoms | 29 |
| Complexity | 649.0 |
Chemical Identifiers
| CAS Number | 10354-33-3 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC(=C(C=C2Br)OC)OC)C(=O)OCC)C)C |
| InChIKey | MUCYBUCJKKRCFJ-UHFFFAOYSA-N |
Product Overview
J1.400.616H (CAS 10354-33-3), with molecular formula C21H26BrNO6 and molecular weight 467.09 g/mol. IUPAC: diethyl 4-(2-bromo-4,5-dimethoxyphenyl)-2,6-dimethyl-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of J1.400.616H
Property Insights of J1.400.616H
The XLogP value of 3.9 indicates that J1.400.616H is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 83.1 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.400.616H. Following Lipinski's Rule of Five, J1.400.616H has 1 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 J1.400.616H?
The CAS number of J1.400.616H is 10354-33-3.
What is the molecular formula of J1.400.616H?
The molecular formula of J1.400.616H is C21H26BrNO6.
What is the molecular weight of J1.400.616H?
The molecular weight of J1.400.616H is 467.09 g/mol.
Where can I buy J1.400.616H?
You can request a quote for J1.400.616H directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for J1.400.616H?
Yes, KEHONG BIO provides custom synthesis services for J1.400.616H and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.