A3016/0127140
TL;DR: A3016/0127140 (CAS 433252-31-4) is a chemical compound with molecular formula C19H20BrNO7 and molecular weight 453.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylate
Also Known As: A3016/0127140, 3,5-DIMETHYL 4-(6-BROMO-2H-1,3-BENZODIOXOL-5-YL)-1-(2-METHOXYETHYL)-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE, dimethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-1,4-dihydropyridine-3,5-dicarboxylate, dimethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylate, dimethyl 4-(6-bromobenzo[d][1,3]dioxol-5-yl)-1-(2-methoxyethyl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C19H20BrNO7 |
|---|---|
| Molecular Weight | 453.04 g/mol |
| LogP | 2.3372 |
| Topological Polar Surface Area | 83.53 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.0423 |
| Heavy Atoms | 28 |
| Complexity | 814.9291 |
Chemical Identifiers
| CAS Number | 433252-31-4 |
|---|---|
| SMILES | COCCN1C=C(C(C(=C1)C(=O)OC)C2=CC3=C(C=C2Br)OCO3)C(=O)OC |
Product Overview
A3016/0127140 (CAS 433252-31-4), with molecular formula C19H20BrNO7 and molecular weight 453.04 g/mol. IUPAC: dimethyl 4-(6-bromo-1,3-benzodioxol-5-yl)-1-(2-methoxyethyl)-4H-pyridine-3,5-dicarboxylate.
Chemical Property Profile of A3016/0127140
Property Insights of A3016/0127140
The XLogP value of 2.3372 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3016/0127140. The TPSA of 83.53 Ų falls within the moderate polarity range, balancing permeability and solubility for A3016/0127140. Following Lipinski's Rule of Five, A3016/0127140 has 0 hydrogen bond donor(s) and 8 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 A3016/0127140?
The CAS number of A3016/0127140 is 433252-31-4.
What is the molecular formula of A3016/0127140?
The molecular formula of A3016/0127140 is C19H20BrNO7.
What is the molecular weight of A3016/0127140?
The molecular weight of A3016/0127140 is 453.04 g/mol.
Where can I buy A3016/0127140?
You can request a quote for A3016/0127140 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3016/0127140?
Yes, KEHONG BIO provides custom synthesis services for A3016/0127140 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.