AJ-292/42034345
TL;DR: AJ-292/42034345 (CAS 516457-97-9) is a chemical compound with molecular formula C21H30N4O3S and molecular weight 418.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[(4-carbamoyl-4-piperidin-1-ylpiperidine-1-carbothioyl)amino]phenyl]acetate
Also Known As: AJ-292/42034345, VU0047508-1, methyl (4-{[(4'-carbamoyl-1,4'-bipiperidin-1'-yl)carbonothioyl]amino}phenyl)acetate, methyl 2-(4-{[(4-carbamoyl-4-piperidylpiperidyl)thioxomethyl]amino}phenyl)acet ate, methyl 2-[4-[(4-carbamoyl-4-piperidin-1-ylpiperidine-1-carbothioyl)amino]phenyl]acetate
| Molecular Formula | C21H30N4O3S |
|---|---|
| Molecular Weight | 418.20 g/mol |
| LogP | 1.9047 |
| Topological Polar Surface Area | 87.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 418.20386 |
| Heavy Atoms | 29 |
| Complexity | 738.79803 |
Chemical Identifiers
| CAS Number | 516457-97-9 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCC(CC2)(C(=O)N)N3CCCCC3 |
Product Overview
AJ-292/42034345 (CAS 516457-97-9), with molecular formula C21H30N4O3S and molecular weight 418.20 g/mol. IUPAC: methyl 2-[4-[(4-carbamoyl-4-piperidin-1-ylpiperidine-1-carbothioyl)amino]phenyl]acetate.
Chemical Property Profile of AJ-292/42034345
Property Insights of AJ-292/42034345
The XLogP value of 1.9047 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AJ-292/42034345. The TPSA of 87.9 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/42034345. Following Lipinski's Rule of Five, AJ-292/42034345 has 2 hydrogen bond donor(s) and 5 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 AJ-292/42034345?
The CAS number of AJ-292/42034345 is 516457-97-9.
What is the molecular formula of AJ-292/42034345?
The molecular formula of AJ-292/42034345 is C21H30N4O3S.
What is the molecular weight of AJ-292/42034345?
The molecular weight of AJ-292/42034345 is 418.20 g/mol.
Where can I buy AJ-292/42034345?
You can request a quote for AJ-292/42034345 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/42034345?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/42034345 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.