AJ-292/42034185
TL;DR: AJ-292/42034185 (CAS 516458-82-5) is a chemical compound with molecular formula C28H30N2O3S and molecular weight 474.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[4-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]phenyl]acetate
Also Known As: AJ-292/42034185, methyl {4-[({4-[hydroxy(diphenyl)methyl]piperidin-1-yl}carbonothioyl)amino]phenyl}acetate, methyl 2-[4-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]phenyl]acetate, methyl {4-[({4-[hydroxy(diphenyl)methyl]-1-piperidinyl}carbothioyl)amino]phenyl}acetate, methyl 2-(4-(4-(hydroxydiphenylmethyl)piperidine-1-carbothioamido)phenyl)acetate
| Molecular Formula | C28H30N2O3S |
|---|---|
| Molecular Weight | 474.20 g/mol |
| LogP | 4.747 |
| Topological Polar Surface Area | 61.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 474.19772 |
| Heavy Atoms | 34 |
| Complexity | 1056.0148 |
Chemical Identifiers
| CAS Number | 516458-82-5 |
|---|---|
| SMILES | COC(=O)CC1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(C3=CC=CC=C3)(C4=CC=CC=C4)O |
Product Overview
AJ-292/42034185 (CAS 516458-82-5), with molecular formula C28H30N2O3S and molecular weight 474.20 g/mol. IUPAC: methyl 2-[4-[[4-[hydroxy(diphenyl)methyl]piperidine-1-carbothioyl]amino]phenyl]acetate.
Chemical Property Profile of AJ-292/42034185
Property Insights of AJ-292/42034185
The XLogP value of 4.747 indicates that AJ-292/42034185 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.8 Ų falls within the moderate polarity range, balancing permeability and solubility for AJ-292/42034185. Following Lipinski's Rule of Five, AJ-292/42034185 has 2 hydrogen bond donor(s) and 4 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-292/42034185?
The CAS number of AJ-292/42034185 is 516458-82-5.
What is the molecular formula of AJ-292/42034185?
The molecular formula of AJ-292/42034185 is C28H30N2O3S.
What is the molecular weight of AJ-292/42034185?
The molecular weight of AJ-292/42034185 is 474.20 g/mol.
Where can I buy AJ-292/42034185?
You can request a quote for AJ-292/42034185 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AJ-292/42034185?
Yes, KEHONG BIO provides custom synthesis services for AJ-292/42034185 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.