ChemDiv1_010521
TL;DR: ChemDiv1_010521 (CAS 302952-78-9) is a chemical compound with molecular formula C22H20F3NO5 and molecular weight 435.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-3-(4-methoxyphenoxy)-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one
Also Known As: ChemDiv1_010521, BIM-0001872.P001, AE-641/14043007, 7-hydroxy-3-(4-methoxyphenoxy)-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)-4H-chromen-4-one, 7-hydroxy-3-(4-methoxyphenoxy)-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one
| Molecular Formula | C22H20F3NO5 |
|---|---|
| Molecular Weight | 435.13 g/mol |
| LogP | 4.9141 |
| Topological Polar Surface Area | 72.14 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 435.12936 |
| Heavy Atoms | 31 |
| Complexity | 1148.9957 |
Chemical Identifiers
| CAS Number | 302952-78-9 |
|---|---|
| SMILES | COC1=CC=C(C=C1)OC2=C(OC3=C(C2=O)C=CC(=C3CN4CCCC4)O)C(F)(F)F |
Product Overview
ChemDiv1_010521 (CAS 302952-78-9), with molecular formula C22H20F3NO5 and molecular weight 435.13 g/mol. IUPAC: 7-hydroxy-3-(4-methoxyphenoxy)-8-(pyrrolidin-1-ylmethyl)-2-(trifluoromethyl)chromen-4-one.
Chemical Property Profile of ChemDiv1_010521
Property Insights of ChemDiv1_010521
The XLogP value of 4.9141 indicates that ChemDiv1_010521 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 72.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_010521. Following Lipinski's Rule of Five, ChemDiv1_010521 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_010521?
The CAS number of ChemDiv1_010521 is 302952-78-9.
What is the molecular formula of ChemDiv1_010521?
The molecular formula of ChemDiv1_010521 is C22H20F3NO5.
What is the molecular weight of ChemDiv1_010521?
The molecular weight of ChemDiv1_010521 is 435.13 g/mol.
Where can I buy ChemDiv1_010521?
You can request a quote for ChemDiv1_010521 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_010521?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_010521 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.