ChemDiv3_001612
TL;DR: ChemDiv3_001612 (CAS 392254-28-3) is a chemical compound with molecular formula C22H22ClN3OS and molecular weight 411.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-tert-butyl-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide
Also Known As: ChemDiv3_001612, IDI1_020578, BRD-K24882569-001-01-9, F0396-0153, 4-(tert-butyl)-N-(2-(4-chlorophenyl)-4,6-dihydro-2H-thieno[3,4-c]pyrazol-3-yl)benzamide
| Molecular Formula | C22H22ClN3OS |
|---|---|
| Molecular Weight | 411.12 g/mol |
| LogP | 5.8223 |
| Topological Polar Surface Area | 46.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 411.11722 |
| Heavy Atoms | 28 |
| Complexity | 1017.6757 |
Chemical Identifiers
| CAS Number | 392254-28-3 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)C(=O)NC2=C3CSCC3=NN2C4=CC=C(C=C4)Cl |
Product Overview
ChemDiv3_001612 (CAS 392254-28-3), with molecular formula C22H22ClN3OS and molecular weight 411.12 g/mol. IUPAC: 4-tert-butyl-N-[2-(4-chlorophenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]benzamide.
Chemical Property Profile of ChemDiv3_001612
Property Insights of ChemDiv3_001612
The XLogP value of 5.8223 indicates that ChemDiv3_001612 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.92 Ų, ChemDiv3_001612 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_001612 has 1 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 ChemDiv3_001612?
The CAS number of ChemDiv3_001612 is 392254-28-3.
What is the molecular formula of ChemDiv3_001612?
The molecular formula of ChemDiv3_001612 is C22H22ClN3OS.
What is the molecular weight of ChemDiv3_001612?
The molecular weight of ChemDiv3_001612 is 411.12 g/mol.
Where can I buy ChemDiv3_001612?
You can request a quote for ChemDiv3_001612 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001612?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001612 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.