ChemDiv1_002241
TL;DR: ChemDiv1_002241 (CAS 305865-84-3) is a chemical compound with molecular formula C21H19ClN4O3 and molecular weight 410.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
prop-2-enyl 6-amino-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate
Also Known As: ChemDiv1_002241, BAS 01101535, A2128/0089317, prop-2-en-1-yl 6-amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate, 6-Amino-4-(5-chloro-3-methyl-1-phenyl-1H-pyrazol-4-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylic acid allyl ester
| Molecular Formula | C21H19ClN4O3 |
|---|---|
| Molecular Weight | 410.11 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 103.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 410.11456 |
| Heavy Atoms | 29 |
| Complexity | 778.0 |
Chemical Identifiers
| CAS Number | 305865-84-3 |
|---|---|
| SMILES | CC1=C(C(C(=C(O1)N)C#N)C2=C(N(N=C2C)C3=CC=CC=C3)Cl)C(=O)OCC=C |
| InChIKey | NVXZNWKYSLXZGH-UHFFFAOYSA-N |
Product Overview
ChemDiv1_002241 (CAS 305865-84-3), with molecular formula C21H19ClN4O3 and molecular weight 410.11 g/mol. IUPAC: prop-2-enyl 6-amino-4-(5-chloro-3-methyl-1-phenylpyrazol-4-yl)-5-cyano-2-methyl-4H-pyran-3-carboxylate.
Chemical Property Profile of ChemDiv1_002241
Property Insights of ChemDiv1_002241
The XLogP value of 4.1 indicates that ChemDiv1_002241 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 103.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_002241. Following Lipinski's Rule of Five, ChemDiv1_002241 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_002241?
The CAS number of ChemDiv1_002241 is 305865-84-3.
What is the molecular formula of ChemDiv1_002241?
The molecular formula of ChemDiv1_002241 is C21H19ClN4O3.
What is the molecular weight of ChemDiv1_002241?
The molecular weight of ChemDiv1_002241 is 410.11 g/mol.
Where can I buy ChemDiv1_002241?
You can request a quote for ChemDiv1_002241 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_002241?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_002241 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.