ChemDiv1_005019
TL;DR: ChemDiv1_005019 (CAS 333305-41-2) is a chemical compound with molecular formula C23H24ClN5O4 and molecular weight 469.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(benzylamino)-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione
Also Known As: ChemDiv1_005019, BAS 02073113, 8-(benzylamino)-7-(3-(4-chlorophenoxy)-2-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, F0801-0043, 8-(benzylamino)-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C23H24ClN5O4 |
|---|---|
| Molecular Weight | 469.15 g/mol |
| LogP | 2.1391 |
| Topological Polar Surface Area | 103.31 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 469.15167 |
| Heavy Atoms | 33 |
| Complexity | 1376.7369 |
Chemical Identifiers
| CAS Number | 333305-41-2 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)NCC3=CC=CC=C3)CC(COC4=CC=C(C=C4)Cl)O |
Product Overview
ChemDiv1_005019 (CAS 333305-41-2), with molecular formula C23H24ClN5O4 and molecular weight 469.15 g/mol. IUPAC: 8-(benzylamino)-7-[3-(4-chlorophenoxy)-2-hydroxypropyl]-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of ChemDiv1_005019
Property Insights of ChemDiv1_005019
The XLogP value of 2.1391 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_005019. The TPSA of 103.31 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_005019. Following Lipinski's Rule of Five, ChemDiv1_005019 has 2 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_005019?
The CAS number of ChemDiv1_005019 is 333305-41-2.
What is the molecular formula of ChemDiv1_005019?
The molecular formula of ChemDiv1_005019 is C23H24ClN5O4.
What is the molecular weight of ChemDiv1_005019?
The molecular weight of ChemDiv1_005019 is 469.15 g/mol.
Where can I buy ChemDiv1_005019?
You can request a quote for ChemDiv1_005019 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_005019?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_005019 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.