A3787/0160793
TL;DR: A3787/0160793 (CAS 727682-37-3) is a chemical compound with molecular formula C22H31N3O3S and molecular weight 417.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbothioyl]amino]benzoate
Also Known As: A3787/0160793, ethyl 4-(4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbothioamido)benzoate, ethyl 4-[({4-[(4-methylpiperidin-1-yl)carbonyl]piperidin-1-yl}carbonothioyl)amino]benzoate, ETHYL 4-[({4-[(4-METHYLPIPERIDINO)CARBONYL]PIPERIDINO}CARBOTHIOYL)AMINO]BENZOATE, ethyl 4-[[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbothioyl]amino]benzoate
| Molecular Formula | C22H31N3O3S |
|---|---|
| Molecular Weight | 417.21 g/mol |
| LogP | 3.5306 |
| Topological Polar Surface Area | 61.88 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 417.20862 |
| Heavy Atoms | 29 |
| Complexity | 721.32294 |
Chemical Identifiers
| CAS Number | 727682-37-3 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=S)N2CCC(CC2)C(=O)N3CCC(CC3)C |
Product Overview
A3787/0160793 (CAS 727682-37-3), with molecular formula C22H31N3O3S and molecular weight 417.21 g/mol. IUPAC: ethyl 4-[[4-(4-methylpiperidine-1-carbonyl)piperidine-1-carbothioyl]amino]benzoate.
Chemical Property Profile of A3787/0160793
Property Insights of A3787/0160793
The XLogP value of 3.5306 indicates that A3787/0160793 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 61.88 Ų falls within the moderate polarity range, balancing permeability and solubility for A3787/0160793. Following Lipinski's Rule of Five, A3787/0160793 has 1 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 A3787/0160793?
The CAS number of A3787/0160793 is 727682-37-3.
What is the molecular formula of A3787/0160793?
The molecular formula of A3787/0160793 is C22H31N3O3S.
What is the molecular weight of A3787/0160793?
The molecular weight of A3787/0160793 is 417.21 g/mol.
Where can I buy A3787/0160793?
You can request a quote for A3787/0160793 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3787/0160793?
Yes, KEHONG BIO provides custom synthesis services for A3787/0160793 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.