ChemDiv3_007506
TL;DR: ChemDiv3_007506 (CAS 838896-61-0) is a chemical compound with molecular formula C19H27N7O2S2 and molecular weight 449.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione
Also Known As: ChemDiv3_007506, IDI1_025416, AB00396724-06, AB00396724-09, 8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione
| Molecular Formula | C19H27N7O2S2 |
|---|---|
| Molecular Weight | 449.17 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 141.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 449.16678 |
| Heavy Atoms | 30 |
| Complexity | 661.0 |
Chemical Identifiers
| CAS Number | 838896-61-0 |
|---|---|
| SMILES | CC1CC(CN(C1)C2=NC3=C(N2CCSC4=NN=C(S4)C)C(=O)N(C(=O)N3C)C)C |
| InChIKey | WOUXDIFUJDHOAK-UHFFFAOYSA-N |
Product Overview
ChemDiv3_007506 (CAS 838896-61-0), with molecular formula C19H27N7O2S2 and molecular weight 449.17 g/mol. IUPAC: 8-(3,5-dimethylpiperidin-1-yl)-1,3-dimethyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione.
Chemical Property Profile of ChemDiv3_007506
Property Insights of ChemDiv3_007506
The XLogP value of 3.1 indicates that ChemDiv3_007506 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 141.0 Ų indicates high polarity, suggesting ChemDiv3_007506 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ChemDiv3_007506 has 0 hydrogen bond donor(s) and 8 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 ChemDiv3_007506?
The CAS number of ChemDiv3_007506 is 838896-61-0.
What is the molecular formula of ChemDiv3_007506?
The molecular formula of ChemDiv3_007506 is C19H27N7O2S2.
What is the molecular weight of ChemDiv3_007506?
The molecular weight of ChemDiv3_007506 is 449.17 g/mol.
Where can I buy ChemDiv3_007506?
You can request a quote for ChemDiv3_007506 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_007506?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_007506 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.