ChemDiv3_001714
TL;DR: ChemDiv3_001714 (CAS 396724-49-5) is a chemical compound with molecular formula C21H20ClN3O2S and molecular weight 413.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide
Also Known As: ChemDiv3_001714, IDI1_020680, BRD-K58168380-001-01-9, F0778-0430, 2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenyl)-2H,4H,6H-thieno[3,4-c]pyrazol-3-yl]acetamide
| Molecular Formula | C21H20ClN3O2S |
|---|---|
| Molecular Weight | 413.10 g/mol |
| LogP | 4.90684 |
| Topological Polar Surface Area | 56.15 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 413.09647 |
| Heavy Atoms | 28 |
| Complexity | 1030.8751 |
Chemical Identifiers
| CAS Number | 396724-49-5 |
|---|---|
| SMILES | CC1=CC(=C(C=C1)N2C(=C3CSCC3=N2)NC(=O)COC4=CC=C(C=C4)Cl)C |
Product Overview
ChemDiv3_001714 (CAS 396724-49-5), with molecular formula C21H20ClN3O2S and molecular weight 413.10 g/mol. IUPAC: 2-(4-chlorophenoxy)-N-[2-(2,4-dimethylphenyl)-4,6-dihydrothieno[3,4-c]pyrazol-3-yl]acetamide.
Chemical Property Profile of ChemDiv3_001714
Property Insights of ChemDiv3_001714
The XLogP value of 4.90684 indicates that ChemDiv3_001714 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.15 Ų, ChemDiv3_001714 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_001714 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 ChemDiv3_001714?
The CAS number of ChemDiv3_001714 is 396724-49-5.
What is the molecular formula of ChemDiv3_001714?
The molecular formula of ChemDiv3_001714 is C21H20ClN3O2S.
What is the molecular weight of ChemDiv3_001714?
The molecular weight of ChemDiv3_001714 is 413.10 g/mol.
Where can I buy ChemDiv3_001714?
You can request a quote for ChemDiv3_001714 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_001714?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_001714 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.