AO-022/41151043
TL;DR: AO-022/41151043 (CAS 442556-48-1) is a chemical compound with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
Also Known As: AO-022/41151043, F1109-0112, allyl 6-((2-amino-2-oxoethyl)thio)-5-cyano-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-en-1-yl 6-[(carbamoylmethyl)sulfanyl]-5-cyano-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate, prop-2-enyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate
| Molecular Formula | C20H21N3O4S |
|---|---|
| Molecular Weight | 399.13 g/mol |
| LogP | 2.33888 |
| Topological Polar Surface Area | 114.44 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 399.12527 |
| Heavy Atoms | 28 |
| Complexity | 898.95703 |
Chemical Identifiers
| CAS Number | 442556-48-1 |
|---|---|
| SMILES | CC1=C(C(C(=C(N1)SCC(=O)N)C#N)C2=CC=CC=C2OC)C(=O)OCC=C |
Product Overview
AO-022/41151043 (CAS 442556-48-1), with molecular formula C20H21N3O4S and molecular weight 399.13 g/mol. IUPAC: prop-2-enyl 6-(2-amino-2-oxoethyl)sulfanyl-5-cyano-4-(2-methoxyphenyl)-2-methyl-1,4-dihydropyridine-3-carboxylate.
Chemical Property Profile of AO-022/41151043
Property Insights of AO-022/41151043
The XLogP value of 2.33888 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AO-022/41151043. The TPSA of 114.44 Ų falls within the moderate polarity range, balancing permeability and solubility for AO-022/41151043. Following Lipinski's Rule of Five, AO-022/41151043 has 2 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 AO-022/41151043?
The CAS number of AO-022/41151043 is 442556-48-1.
What is the molecular formula of AO-022/41151043?
The molecular formula of AO-022/41151043 is C20H21N3O4S.
What is the molecular weight of AO-022/41151043?
The molecular weight of AO-022/41151043 is 399.13 g/mol.
Where can I buy AO-022/41151043?
You can request a quote for AO-022/41151043 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AO-022/41151043?
Yes, KEHONG BIO provides custom synthesis services for AO-022/41151043 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.