ChemDiv2_006402
TL;DR: ChemDiv2_006402 (CAS 851941-45-2) is a chemical compound with molecular formula C18H29N5O3 and molecular weight 363.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[(3,5-dimethylpiperidin-1-yl)methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione
Also Known As: ChemDiv2_006402, IDI1_005117, 8-[(3,5-dimethylpiperidin-1-yl)methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione, F0634-0604, 8-((3,5-dimethylpiperidin-1-yl)methyl)-7-(3-hydroxypropyl)-1,3-dimethyl-3,7-dihydro-1H-purine-2,6-dione
| Molecular Formula | C18H29N5O3 |
|---|---|
| Molecular Weight | 363.23 g/mol |
| LogP | 0.294 |
| Topological Polar Surface Area | 85.29 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 363.22705 |
| Heavy Atoms | 26 |
| Complexity | 900.158 |
Chemical Identifiers
| CAS Number | 851941-45-2 |
|---|---|
| SMILES | CC1CC(CN(C1)CC2=NC3=C(N2CCCO)C(=O)N(C(=O)N3C)C)C |
Product Overview
ChemDiv2_006402 (CAS 851941-45-2), with molecular formula C18H29N5O3 and molecular weight 363.23 g/mol. IUPAC: 8-[(3,5-dimethylpiperidin-1-yl)methyl]-7-(3-hydroxypropyl)-1,3-dimethylpurine-2,6-dione.
Chemical Property Profile of ChemDiv2_006402
Property Insights of ChemDiv2_006402
The XLogP value of 0.294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv2_006402. The TPSA of 85.29 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv2_006402. Following Lipinski's Rule of Five, ChemDiv2_006402 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_006402?
The CAS number of ChemDiv2_006402 is 851941-45-2.
What is the molecular formula of ChemDiv2_006402?
The molecular formula of ChemDiv2_006402 is C18H29N5O3.
What is the molecular weight of ChemDiv2_006402?
The molecular weight of ChemDiv2_006402 is 363.23 g/mol.
Where can I buy ChemDiv2_006402?
You can request a quote for ChemDiv2_006402 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv2_006402?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv2_006402 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.