ChemDiv2_004450
TL;DR: ChemDiv2_004450 (CAS 714932-74-8) is a chemical compound with molecular formula C24H27N5O3 and molecular weight 433.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[benzyl(2-hydroxyethyl)amino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione
Also Known As: ChemDiv2_004450, IDI1_003165, UPCMLD0ENAT5730441:001, 8-(benzyl(2-hydroxyethyl)amino)-3-methyl-7-(3-phenylpropyl)-1H-purine-2,6(3H,7H)-dione, AB00441307-04
| Molecular Formula | C24H27N5O3 |
|---|---|
| Molecular Weight | 433.21 g/mol |
| LogP | 2.055 |
| Topological Polar Surface Area | 96.15 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 433.2114 |
| Heavy Atoms | 32 |
| Complexity | 1292.4615 |
Chemical Identifiers
| CAS Number | 714932-74-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)NC1=O)N(C(=N2)N(CCO)CC3=CC=CC=C3)CCCC4=CC=CC=C4 |
Product Overview
ChemDiv2_004450 (CAS 714932-74-8), with molecular formula C24H27N5O3 and molecular weight 433.21 g/mol. IUPAC: 8-[benzyl(2-hydroxyethyl)amino]-3-methyl-7-(3-phenylpropyl)purine-2,6-dione.
Chemical Property Profile of ChemDiv2_004450
Property Insights of ChemDiv2_004450
The XLogP value of 2.055 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_004450. The TPSA of 96.15 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_004450. Following Lipinski's Rule of Five, ChemDiv2_004450 has 2 hydrogen bond donor(s) and 5 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 ChemDiv2_004450?
The CAS number of ChemDiv2_004450 is 714932-74-8.
What is the molecular formula of ChemDiv2_004450?
The molecular formula of ChemDiv2_004450 is C24H27N5O3.
What is the molecular weight of ChemDiv2_004450?
The molecular weight of ChemDiv2_004450 is 433.21 g/mol.
Where can I buy ChemDiv2_004450?
You can request a quote for ChemDiv2_004450 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_004450?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_004450 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.