ChemDiv2_006446
TL;DR: ChemDiv2_006446 (CAS 851941-40-7) is a chemical compound with molecular formula C25H29N5O3 and molecular weight 447.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(dibenzylamino)methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: ChemDiv2_006446, IDI1_005161, UPCMLD0ENAT5837572:001, 8-((dibenzylamino)methyl)-7-(3-hydroxypropyl)-1,3-dimethyl-1H-purine-2,6(3H,7H)-dione, AB01288567-01
| Molecular Formula | C25H29N5O3 |
|---|---|
| Molecular Weight | 447.23 g/mol |
| LogP | 2.0185 |
| Topological Polar Surface Area | 85.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 9 |
| Exact Mass | 447.22705 |
| Heavy Atoms | 33 |
| Complexity | 1298.4729 |
Chemical Identifiers
| CAS Number | 851941-40-7 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)CN(CC3=CC=CC=C3)CC4=CC=CC=C4)CCCO |
Product Overview
ChemDiv2_006446 (CAS 851941-40-7), with molecular formula C25H29N5O3 and molecular weight 447.23 g/mol. IUPAC: 8-[(dibenzylamino)methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of ChemDiv2_006446
Property Insights of ChemDiv2_006446
The XLogP value of 2.0185 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006446. The TPSA of 85.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006446. Following Lipinski's Rule of Five, ChemDiv2_006446 has 1 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_006446?
The CAS number of ChemDiv2_006446 is 851941-40-7.
What is the molecular formula of ChemDiv2_006446?
The molecular formula of ChemDiv2_006446 is C25H29N5O3.
What is the molecular weight of ChemDiv2_006446?
The molecular weight of ChemDiv2_006446 is 447.23 g/mol.
Where can I buy ChemDiv2_006446?
You can request a quote for ChemDiv2_006446 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006446?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006446 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.