Bionet1_004188
TL;DR: Bionet1_004188 (CAS 105435-13-0) is a chemical compound with molecular formula C17H17ClN2O6 and molecular weight 380.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2-(chloromethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: Bionet1_004188, DivK1c_002684, CDS1_001644, 3R-0108, dimethyl 2-(chloromethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydro-3,5-pyridinedicarboxylate
| Molecular Formula | C17H17ClN2O6 |
|---|---|
| Molecular Weight | 380.08 g/mol |
| LogP | 2.3945 |
| Topological Polar Surface Area | 107.77 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 5 |
| Exact Mass | 380.0775 |
| Heavy Atoms | 26 |
| Complexity | 830.29694 |
Chemical Identifiers
| CAS Number | 105435-13-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)CCl)C(=O)OC)C2=CC(=CC=C2)[N+](=O)[O-])C(=O)OC |
Product Overview
Bionet1_004188 (CAS 105435-13-0), with molecular formula C17H17ClN2O6 and molecular weight 380.08 g/mol. IUPAC: dimethyl 2-(chloromethyl)-6-methyl-4-(3-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of Bionet1_004188
Property Insights of Bionet1_004188
The XLogP value of 2.3945 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bionet1_004188. The TPSA of 107.77 Ų falls within the moderate polarity range, balancing permeability and solubility for Bionet1_004188. Following Lipinski's Rule of Five, Bionet1_004188 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 Bionet1_004188?
The CAS number of Bionet1_004188 is 105435-13-0.
What is the molecular formula of Bionet1_004188?
The molecular formula of Bionet1_004188 is C17H17ClN2O6.
What is the molecular weight of Bionet1_004188?
The molecular weight of Bionet1_004188 is 380.08 g/mol.
Where can I buy Bionet1_004188?
You can request a quote for Bionet1_004188 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bionet1_004188?
Yes, KEHONG BIO provides custom synthesis services for Bionet1_004188 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.