AQ-405/42300202
TL;DR: AQ-405/42300202 (CAS 92565-47-4) is a chemical compound with molecular formula C24H25N3O8S and molecular weight 515.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-O-ethyl 5-O-[2-[(2-hydroxybenzoyl)amino]ethyl] 2,6-dimethyl-4-(5-nitrothiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
Also Known As: AQ-405/42300202, 3-ethyl 5-{2-[(2-hydroxybenzoyl)amino]ethyl} 4-{5-nitro-2-thienyl}-2,6-dimethyl-1,4-dihydro-3,5-pyridinedicarboxylate, 3-O-ethyl 5-O-[2-[(2-hydroxybenzoyl)amino]ethyl] 2,6-dimethyl-4-(5-nitrothiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate
| Molecular Formula | C24H25N3O8S |
|---|---|
| Molecular Weight | 515.14 g/mol |
| LogP | 3.133 |
| Topological Polar Surface Area | 157.1 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 515.1362 |
| Heavy Atoms | 36 |
| Complexity | 1263.5579 |
Chemical Identifiers
| CAS Number | 92565-47-4 |
|---|---|
| SMILES | CCOC(=O)C1=C(NC(=C(C1C2=CC=C(S2)[N+](=O)[O-])C(=O)OCCNC(=O)C3=CC=CC=C3O)C)C |
Product Overview
AQ-405/42300202 (CAS 92565-47-4), with molecular formula C24H25N3O8S and molecular weight 515.14 g/mol. IUPAC: 3-O-ethyl 5-O-[2-[(2-hydroxybenzoyl)amino]ethyl] 2,6-dimethyl-4-(5-nitrothiophen-2-yl)-1,4-dihydropyridine-3,5-dicarboxylate.
Chemical Property Profile of AQ-405/42300202
Property Insights of AQ-405/42300202
The XLogP value of 3.133 indicates that AQ-405/42300202 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 157.1 Ų indicates high polarity, suggesting AQ-405/42300202 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, AQ-405/42300202 has 3 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of AQ-405/42300202?
The CAS number of AQ-405/42300202 is 92565-47-4.
What is the molecular formula of AQ-405/42300202?
The molecular formula of AQ-405/42300202 is C24H25N3O8S.
What is the molecular weight of AQ-405/42300202?
The molecular weight of AQ-405/42300202 is 515.14 g/mol.
Where can I buy AQ-405/42300202?
You can request a quote for AQ-405/42300202 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AQ-405/42300202?
Yes, KEHONG BIO provides custom synthesis services for AQ-405/42300202 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.