ChemDiv1_025454
TL;DR: ChemDiv1_025454 (CAS 293319-99-0) is a chemical compound with molecular formula C23H21N3O4S and molecular weight 435.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4R)-5-acetyl-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
Also Known As: ChemDiv1_025454, 5-acetyl-4-{2-nitrophenyl}-2-[(3-methoxybenzyl)sulfanyl]-6-methyl-1,4-dihydro-3-pyridinecarbonitrile, AB00092826-01, A1680/0071695, (4R)-5-acetyl-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile
| Molecular Formula | C23H21N3O4S |
|---|---|
| Molecular Weight | 435.13 g/mol |
| LogP | 4.82178 |
| Topological Polar Surface Area | 105.26 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 7 |
| Exact Mass | 435.12527 |
| Heavy Atoms | 31 |
| Complexity | 1147.5057 |
Chemical Identifiers
| CAS Number | 293319-99-0 |
|---|---|
| SMILES | CC1=C([C@H](C(=C(N1)SCC2=CC(=CC=C2)OC)C#N)C3=CC=CC=C3[N+](=O)[O-])C(=O)C |
Product Overview
ChemDiv1_025454 (CAS 293319-99-0), with molecular formula C23H21N3O4S and molecular weight 435.13 g/mol. IUPAC: (4R)-5-acetyl-2-[(3-methoxyphenyl)methylsulfanyl]-6-methyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3-carbonitrile.
Chemical Property Profile of ChemDiv1_025454
Property Insights of ChemDiv1_025454
The XLogP value of 4.82178 indicates that ChemDiv1_025454 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.26 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_025454. Following Lipinski's Rule of Five, ChemDiv1_025454 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 ChemDiv1_025454?
The CAS number of ChemDiv1_025454 is 293319-99-0.
What is the molecular formula of ChemDiv1_025454?
The molecular formula of ChemDiv1_025454 is C23H21N3O4S.
What is the molecular weight of ChemDiv1_025454?
The molecular weight of ChemDiv1_025454 is 435.13 g/mol.
Where can I buy ChemDiv1_025454?
You can request a quote for ChemDiv1_025454 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_025454?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_025454 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.