ChemDiv1_012440
TL;DR: ChemDiv1_012440 (CAS 355805-01-5) is a chemical compound with molecular formula C19H22ClN5O3S and molecular weight 435.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
Also Known As: ChemDiv1_012440, BAS 00924117, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothien-2-yl)-2-{4-chloro-3-nitro-5-methyl-1H-pyrazol-1-yl}acetamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-chloro-5-methyl-3-nitro-1H-pyrazol-1-yl)acetamide, N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide
| Molecular Formula | C19H22ClN5O3S |
|---|---|
| Molecular Weight | 435.11 g/mol |
| LogP | 4.476 |
| Topological Polar Surface Area | 113.85 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 435.1132 |
| Heavy Atoms | 29 |
| Complexity | 1028.2705 |
Chemical Identifiers
| CAS Number | 355805-01-5 |
|---|---|
| SMILES | CC1=C(C(=NN1CC(=O)NC2=C(C3=C(S2)CC(CC3)C(C)(C)C)C#N)[N+](=O)[O-])Cl |
Product Overview
ChemDiv1_012440 (CAS 355805-01-5), with molecular formula C19H22ClN5O3S and molecular weight 435.11 g/mol. IUPAC: N-(6-tert-butyl-3-cyano-4,5,6,7-tetrahydro-1-benzothiophen-2-yl)-2-(4-chloro-5-methyl-3-nitropyrazol-1-yl)acetamide.
Chemical Property Profile of ChemDiv1_012440
Property Insights of ChemDiv1_012440
The XLogP value of 4.476 indicates that ChemDiv1_012440 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.85 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_012440. Following Lipinski's Rule of Five, ChemDiv1_012440 has 1 hydrogen bond donor(s) and 6 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 ChemDiv1_012440?
The CAS number of ChemDiv1_012440 is 355805-01-5.
What is the molecular formula of ChemDiv1_012440?
The molecular formula of ChemDiv1_012440 is C19H22ClN5O3S.
What is the molecular weight of ChemDiv1_012440?
The molecular weight of ChemDiv1_012440 is 435.11 g/mol.
Where can I buy ChemDiv1_012440?
You can request a quote for ChemDiv1_012440 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_012440?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_012440 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.