ChemDiv1_010011
TL;DR: ChemDiv1_010011 (CAS 313361-50-1) is a chemical compound with molecular formula C28H27N3O4S and molecular weight 501.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(prop-2-enyl) 2,6-dimethyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: ChemDiv1_010011, 3,5-bis(prop-2-en-1-yl) 2,6-dimethyl-4-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate, diallyl 2,6-dimethyl-4-(1-phenyl-3-thien-2-yl-1H-pyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate, bis(prop-2-enyl) 2,6-dimethyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate, diallyl 2,6-dimethyl-4-(1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C28H27N3O4S |
|---|---|
| Molecular Weight | 501.17 g/mol |
| LogP | 5.294 |
| Topological Polar Surface Area | 82.45 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 501.17224 |
| Heavy Atoms | 36 |
| Complexity | 1304.5966 |
Chemical Identifiers
| CAS Number | 313361-50-1 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCC=C)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)OCC=C |
Product Overview
ChemDiv1_010011 (CAS 313361-50-1), with molecular formula C28H27N3O4S and molecular weight 501.17 g/mol. IUPAC: bis(prop-2-enyl) 2,6-dimethyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_010011
Property Insights of ChemDiv1_010011
The XLogP value of 5.294 indicates that ChemDiv1_010011 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 82.45 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010011. Following Lipinski's Rule of Five, ChemDiv1_010011 has 1 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_010011?
The CAS number of ChemDiv1_010011 is 313361-50-1.
What is the molecular formula of ChemDiv1_010011?
The molecular formula of ChemDiv1_010011 is C28H27N3O4S.
What is the molecular weight of ChemDiv1_010011?
The molecular weight of ChemDiv1_010011 is 501.17 g/mol.
Where can I buy ChemDiv1_010011?
You can request a quote for ChemDiv1_010011 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010011?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010011 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.