ChemDiv1_003642
TL;DR: ChemDiv1_003642 (CAS 309926-93-0) is a chemical compound with molecular formula C22H21ClN4O2 and molecular weight 408.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
Also Known As: ChemDiv1_003642, BAS 01103030, 2-Amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-7,7-dimethyl-5-oxo-5,6,7,8-tetrahydro-4H-chromene-3-carbonitrile, A2118/0088869, 2-amino-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile
| Molecular Formula | C22H21ClN4O2 |
|---|---|
| Molecular Weight | 408.14 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 93.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 408.1353 |
| Heavy Atoms | 29 |
| Complexity | 818.0 |
Chemical Identifiers
| CAS Number | 309926-93-0 |
|---|---|
| SMILES | CC1=NN(C(=C1C2C(=C(OC3=C2C(=O)CC(C3)(C)C)N)C#N)Cl)C4=CC=CC=C4 |
| InChIKey | CURXECZFPFVPRY-UHFFFAOYSA-N |
Product Overview
ChemDiv1_003642 (CAS 309926-93-0), with molecular formula C22H21ClN4O2 and molecular weight 408.14 g/mol. IUPAC: 2-amino-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-7,7-dimethyl-5-oxo-6,8-dihydro-4H-chromene-3-carbonitrile.
Chemical Property Profile of ChemDiv1_003642
Property Insights of ChemDiv1_003642
The XLogP value of 4.2 indicates that ChemDiv1_003642 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 93.9 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_003642. Following Lipinski's Rule of Five, ChemDiv1_003642 has 1 hydrogen bond donor(s) and 5 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_003642?
The CAS number of ChemDiv1_003642 is 309926-93-0.
What is the molecular formula of ChemDiv1_003642?
The molecular formula of ChemDiv1_003642 is C22H21ClN4O2.
What is the molecular weight of ChemDiv1_003642?
The molecular weight of ChemDiv1_003642 is 408.14 g/mol.
Where can I buy ChemDiv1_003642?
You can request a quote for ChemDiv1_003642 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_003642?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_003642 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.