ChemDiv1_002790
TL;DR: ChemDiv1_002790 (CAS 312746-35-3) is a chemical compound with molecular formula C28H31N3O6S and molecular weight 537.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-methoxyethyl) 2,6-dimethyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: ChemDiv1_002790, BAS 01152268, bis(2-methoxyethyl) 2,6-dimethyl-4-[1-phenyl-3-(2-thienyl)-1H-pyrazol-4-yl]-1,4-dihydro-3,5-pyridinedicarboxylate, 3,5-bis(2-methoxyethyl) 2,6-dimethyl-4-[1-phenyl-3-(thiophen-2-yl)-1H-pyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate, 3,5-BIS(2-METHOXYETHYL) 2,6-DIMETHYL-4-[1-PHENYL-3-(THIOPHEN-2-YL)PYRAZOL-4-YL]-1,4-DIHYDROPYRIDINE-3,5-DICARBOXYLATE
| Molecular Formula | C28H31N3O6S |
|---|---|
| Molecular Weight | 537.19 g/mol |
| LogP | 4.2148 |
| Topological Polar Surface Area | 100.91 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 537.19336 |
| Heavy Atoms | 38 |
| Complexity | 1283.8182 |
Chemical Identifiers
| CAS Number | 312746-35-3 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCCOC)C2=CN(N=C2C3=CC=CS3)C4=CC=CC=C4)C(=O)OCCOC |
Product Overview
ChemDiv1_002790 (CAS 312746-35-3), with molecular formula C28H31N3O6S and molecular weight 537.19 g/mol. IUPAC: bis(2-methoxyethyl) 2,6-dimethyl-4-(1-phenyl-3-thiophen-2-ylpyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_002790
Property Insights of ChemDiv1_002790
The XLogP value of 4.2148 indicates that ChemDiv1_002790 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 100.91 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002790. Following Lipinski's Rule of Five, ChemDiv1_002790 has 1 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_002790?
The CAS number of ChemDiv1_002790 is 312746-35-3.
What is the molecular formula of ChemDiv1_002790?
The molecular formula of ChemDiv1_002790 is C28H31N3O6S.
What is the molecular weight of ChemDiv1_002790?
The molecular weight of ChemDiv1_002790 is 537.19 g/mol.
Where can I buy ChemDiv1_002790?
You can request a quote for ChemDiv1_002790 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002790?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002790 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.