ChemDiv1_014541
TL;DR: ChemDiv1_014541 (CAS 477242-37-8) is a chemical compound with molecular formula C26H23F3N4O2 and molecular weight 480.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane
Also Known As: ChemDiv1_014541, 8-(5-phenyl-7-(3-(trifluoromethyl)phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl)-1,4-dioxa-8-azaspiro[4.5]decane, F0532-1491, 8-[5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane, 8-{5-phenyl-7-[3-(trifluoromethyl)phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-yl}-1,4-dioxa-8-azaspiro[4.5]decane
| Molecular Formula | C26H23F3N4O2 |
|---|---|
| Molecular Weight | 480.18 g/mol |
| LogP | 5.4496 |
| Topological Polar Surface Area | 52.41 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 480.1773 |
| Heavy Atoms | 35 |
| Complexity | 1354.2872 |
Chemical Identifiers
| CAS Number | 477242-37-8 |
|---|---|
| SMILES | C1CN(CCC12OCCO2)C3=NC=NC4=C3C(=CN4C5=CC=CC(=C5)C(F)(F)F)C6=CC=CC=C6 |
Product Overview
ChemDiv1_014541 (CAS 477242-37-8), with molecular formula C26H23F3N4O2 and molecular weight 480.18 g/mol. IUPAC: 8-[5-phenyl-7-[3-(trifluoromethyl)phenyl]pyrrolo[2,3-d]pyrimidin-4-yl]-1,4-dioxa-8-azaspiro[4.5]decane.
Chemical Property Profile of ChemDiv1_014541
Property Insights of ChemDiv1_014541
The XLogP value of 5.4496 indicates that ChemDiv1_014541 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.41 Ų, ChemDiv1_014541 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_014541 has 0 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_014541?
The CAS number of ChemDiv1_014541 is 477242-37-8.
What is the molecular formula of ChemDiv1_014541?
The molecular formula of ChemDiv1_014541 is C26H23F3N4O2.
What is the molecular weight of ChemDiv1_014541?
The molecular weight of ChemDiv1_014541 is 480.18 g/mol.
Where can I buy ChemDiv1_014541?
You can request a quote for ChemDiv1_014541 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_014541?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_014541 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.