RefChem:239644
TL;DR: RefChem:239644 (CAS 110480-58-5) is a chemical compound with molecular formula C30H35F2N5O2 and molecular weight 535.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[2-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione
Also Known As: 1H-Purine-2,6-dione, 3,7-dihydro-8-(2-(4-(bis(4-fluorophenyl)methyl)-1-piperidinyl)ethyl)-1-methyl-3-(2-methylpropyl)-, 8-(2-{4-[Bis(4-fluorophenyl)methyl]piperidin-1-yl}ethyl)-1-methyl-3-(2-methylpropyl)-3,7-dihydro-1H-purine-2,6-dione, 8-[2-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione, BRN 5683847, RefChem:239644
| Molecular Formula | C30H35F2N5O2 |
|---|---|
| Molecular Weight | 535.28 g/mol |
| LogP | 4.4441 |
| Topological Polar Surface Area | 75.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 535.2759 |
| Heavy Atoms | 39 |
| Complexity | 1500.5085 |
Chemical Identifiers
| CAS Number | 110480-58-5 |
|---|---|
| SMILES | CC(C)CN1C2=C(C(=O)N(C1=O)C)NC(=N2)CCN3CCC(CC3)C(C4=CC=C(C=C4)F)C5=CC=C(C=C5)F |
Product Overview
RefChem:239644 (CAS 110480-58-5), with molecular formula C30H35F2N5O2 and molecular weight 535.28 g/mol. IUPAC: 8-[2-[4-[bis(4-fluorophenyl)methyl]piperidin-1-yl]ethyl]-1-methyl-3-(2-methylpropyl)-7H-purine-2,6-dione.
Chemical Property Profile of RefChem:239644
Property Insights of RefChem:239644
The XLogP value of 4.4441 indicates that RefChem:239644 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.92 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:239644. Following Lipinski's Rule of Five, RefChem:239644 has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:239644?
The CAS number of RefChem:239644 is 110480-58-5.
What is the molecular formula of RefChem:239644?
The molecular formula of RefChem:239644 is C30H35F2N5O2.
What is the molecular weight of RefChem:239644?
The molecular weight of RefChem:239644 is 535.28 g/mol.
Where can I buy RefChem:239644?
You can request a quote for RefChem:239644 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:239644?
Yes, KEHONG BIO provides custom synthesis services for RefChem:239644 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.