D0J3QU
TL;DR: D0J3QU (CAS 161609-55-8) is a chemical compound with molecular formula C30H35Cl3N2O2S and molecular weight 592.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidin-1-yl]butyl]-N-methylbenzamide;hydrochloride
Also Known As: (S)-N-[2-(3,4-Dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidino]butyl]-N-methylbenzamide hydrochloride
| Molecular Formula | C30H35Cl3N2O2S |
|---|---|
| Molecular Weight | 592.15 g/mol |
| LogP | 7.2781 |
| Topological Polar Surface Area | 40.62 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 9 |
| Exact Mass | 592.1485 |
| Heavy Atoms | 38 |
| Complexity | 1233.1774 |
Chemical Identifiers
| CAS Number | 161609-55-8 |
|---|---|
| SMILES | CN(C[C@@H](CCN1CCC(CC1)C2=CC=CC=C2S(=O)C)C3=CC(=C(C=C3)Cl)Cl)C(=O)C4=CC=CC=C4.Cl |
Product Overview
D0J3QU (CAS 161609-55-8), with molecular formula C30H35Cl3N2O2S and molecular weight 592.15 g/mol. IUPAC: N-[(2S)-2-(3,4-dichlorophenyl)-4-[4-(2-methylsulfinylphenyl)piperidin-1-yl]butyl]-N-methylbenzamide;hydrochloride.
Chemical Property Profile of D0J3QU
Property Insights of D0J3QU
The XLogP value of 7.2781 indicates that D0J3QU is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.62 Ų, D0J3QU exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, D0J3QU has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of D0J3QU?
The CAS number of D0J3QU is 161609-55-8.
What is the molecular formula of D0J3QU?
The molecular formula of D0J3QU is C30H35Cl3N2O2S.
What is the molecular weight of D0J3QU?
The molecular weight of D0J3QU is 592.15 g/mol.
Where can I buy D0J3QU?
You can request a quote for D0J3QU directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for D0J3QU?
Yes, KEHONG BIO provides custom synthesis services for D0J3QU and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.