ChemDiv1_009874
TL;DR: ChemDiv1_009874 (CAS 313361-63-6) is a chemical compound with molecular formula C30H32N4O7S and molecular weight 592.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,6-dimethyl-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: ChemDiv1_009874, BIM-0003195.P001, 3,5-dimethyl 2,6-dimethyl-4-{3-[4-(morpholine-4-sulfonyl)phenyl]-1-phenyl-1H-pyrazol-4-yl}-1,4-dihydropyridine-3,5-dicarboxylate, dimethyl 2,6-dimethyl-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate, dimethyl 2,6-dimethyl-4-(3-(4-(morpholinosulfonyl)phenyl)-1-phenyl-1H-pyrazol-4-yl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C30H32N4O7S |
|---|---|
| Molecular Weight | 592.20 g/mol |
| LogP | 3.141 |
| Topological Polar Surface Area | 129.06 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 7 |
| Exact Mass | 592.19916 |
| Heavy Atoms | 42 |
| Complexity | 1631.8223 |
Chemical Identifiers
| CAS Number | 313361-63-6 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OC)C2=CN(N=C2C3=CC=C(C=C3)S(=O)(=O)N4CCOCC4)C5=CC=CC=C5)C(=O)OC |
Product Overview
ChemDiv1_009874 (CAS 313361-63-6), with molecular formula C30H32N4O7S and molecular weight 592.20 g/mol. IUPAC: dimethyl 2,6-dimethyl-4-[3-(4-morpholin-4-ylsulfonylphenyl)-1-phenylpyrazol-4-yl]-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of ChemDiv1_009874
Property Insights of ChemDiv1_009874
The XLogP value of 3.141 indicates that ChemDiv1_009874 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 129.06 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_009874. Following Lipinski's Rule of Five, ChemDiv1_009874 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_009874?
The CAS number of ChemDiv1_009874 is 313361-63-6.
What is the molecular formula of ChemDiv1_009874?
The molecular formula of ChemDiv1_009874 is C30H32N4O7S.
What is the molecular weight of ChemDiv1_009874?
The molecular weight of ChemDiv1_009874 is 592.20 g/mol.
Where can I buy ChemDiv1_009874?
You can request a quote for ChemDiv1_009874 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_009874?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_009874 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.