ChemDiv3_001543
TL;DR: ChemDiv3_001543 (CAS 337341-34-1) is a chemical compound with molecular formula C21H29N3OS and molecular weight 371.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]methyl]-N-phenylpiperidine-1-carbothioamide
Also Known As: ChemDiv3_001543, BAS 01257367, IDI1_020509, BRD-K10676135-001-01-6, 4-[[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]methyl]-N-phenylpiperidine-1-carbothioamide
| Molecular Formula | C21H29N3OS |
|---|---|
| Molecular Weight | 371.20 g/mol |
| LogP | 3.958 |
| Topological Polar Surface Area | 44.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 371.20312 |
| Heavy Atoms | 26 |
| Complexity | 675.7564 |
Chemical Identifiers
| CAS Number | 337341-34-1 |
|---|---|
| SMILES | CC1(CC(=CC(=O)C1)NCC2CCN(CC2)C(=S)NC3=CC=CC=C3)C |
Product Overview
ChemDiv3_001543 (CAS 337341-34-1), with molecular formula C21H29N3OS and molecular weight 371.20 g/mol. IUPAC: 4-[[(5,5-dimethyl-3-oxocyclohexen-1-yl)amino]methyl]-N-phenylpiperidine-1-carbothioamide.
Chemical Property Profile of ChemDiv3_001543
Property Insights of ChemDiv3_001543
The XLogP value of 3.958 indicates that ChemDiv3_001543 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 44.37 Ų, ChemDiv3_001543 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_001543 has 2 hydrogen bond donor(s) and 3 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 ChemDiv3_001543?
The CAS number of ChemDiv3_001543 is 337341-34-1.
What is the molecular formula of ChemDiv3_001543?
The molecular formula of ChemDiv3_001543 is C21H29N3OS.
What is the molecular weight of ChemDiv3_001543?
The molecular weight of ChemDiv3_001543 is 371.20 g/mol.
Where can I buy ChemDiv3_001543?
You can request a quote for ChemDiv3_001543 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001543?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001543 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.