AQ-405/42300177
TL;DR: AQ-405/42300177 (CAS 724737-08-0) is a chemical compound with molecular formula C23H30N2O7S and molecular weight 478.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-(2-methoxyethyl) 5-O-(2-propan-2-ylsulfanylethyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: AQ-405/42300177, 3-O-(2-methoxyethyl) 5-O-(2-propan-2-ylsulfanylethyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate, 3-[2-(isopropylsulfanyl)ethyl] 5-(2-methoxyethyl) 4-{2-nitrophenyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate
| Molecular Formula | C23H30N2O7S |
|---|---|
| Molecular Weight | 478.18 g/mol |
| LogP | 3.704 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 11 |
| Exact Mass | 478.17737 |
| Heavy Atoms | 33 |
| Complexity | 955.88324 |
Chemical Identifiers
| CAS Number | 724737-08-0 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)C)C(=O)OCCSC(C)C)C2=CC=CC=C2[N+](=O)[O-])C(=O)OCCOC |
Product Overview
AQ-405/42300177 (CAS 724737-08-0), with molecular formula C23H30N2O7S and molecular weight 478.18 g/mol. IUPAC: 3-O-(2-methoxyethyl) 5-O-(2-propan-2-ylsulfanylethyl) 2,6-dimethyl-4-(2-nitrophenyl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of AQ-405/42300177
Property Insights of AQ-405/42300177
The XLogP value of 3.704 indicates that AQ-405/42300177 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for AQ-405/42300177. Following Lipinski's Rule of Five, AQ-405/42300177 has 1 hydrogen bond donor(s) and 9 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 AQ-405/42300177?
The CAS number of AQ-405/42300177 is 724737-08-0.
What is the molecular formula of AQ-405/42300177?
The molecular formula of AQ-405/42300177 is C23H30N2O7S.
What is the molecular weight of AQ-405/42300177?
The molecular weight of AQ-405/42300177 is 478.18 g/mol.
Where can I buy AQ-405/42300177?
You can request a quote for AQ-405/42300177 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-405/42300177?
Yes, KEHONG BIO provides custom synthesis services for AQ-405/42300177 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.