ChemDiv1_005116
TL;DR: ChemDiv1_005116 (CAS 384797-56-2) is a chemical compound with molecular formula C31H29ClN4O3 and molecular weight 540.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-chloro-3-[3-(2-methoxyphenyl)-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one
Also Known As: ChemDiv1_005116, BAS 01855574, 6-chloro-3-(5-(2-methoxyphenyl)-1-(2-(pyrrolidin-1-yl)acetyl)-4,5-dihydro-1H-pyrazol-3-yl)-4-phenylquinolin-2(1H)-one, AB00138243-02, F0731-0078
| Molecular Formula | C31H29ClN4O3 |
|---|---|
| Molecular Weight | 540.19 g/mol |
| LogP | 5.6306 |
| Topological Polar Surface Area | 78.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 540.1928 |
| Heavy Atoms | 39 |
| Complexity | 1626.4641 |
Chemical Identifiers
| CAS Number | 384797-56-2 |
|---|---|
| SMILES | COC1=CC=CC=C1C2CC(=NN2C(=O)CN3CCCC3)C4=C(C5=C(C=CC(=C5)Cl)NC4=O)C6=CC=CC=C6 |
Product Overview
ChemDiv1_005116 (CAS 384797-56-2), with molecular formula C31H29ClN4O3 and molecular weight 540.19 g/mol. IUPAC: 6-chloro-3-[3-(2-methoxyphenyl)-2-(2-pyrrolidin-1-ylacetyl)-3,4-dihydropyrazol-5-yl]-4-phenyl-1H-quinolin-2-one.
Chemical Property Profile of ChemDiv1_005116
Property Insights of ChemDiv1_005116
The XLogP value of 5.6306 indicates that ChemDiv1_005116 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.0 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005116. Following Lipinski's Rule of Five, ChemDiv1_005116 has 1 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_005116?
The CAS number of ChemDiv1_005116 is 384797-56-2.
What is the molecular formula of ChemDiv1_005116?
The molecular formula of ChemDiv1_005116 is C31H29ClN4O3.
What is the molecular weight of ChemDiv1_005116?
The molecular weight of ChemDiv1_005116 is 540.19 g/mol.
Where can I buy ChemDiv1_005116?
You can request a quote for ChemDiv1_005116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005116?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.