AB00427774-04
TL;DR: AB00427774-04 (CAS 672913-78-9) is a chemical compound with molecular formula C23H27N7O2S2 and molecular weight 497.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(4-benzylpiperidin-1-yl)-3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione
Also Known As: AB00427774-04, F0570-0068, 8-(4-benzylpiperidin-1-yl)-3-methyl-7-(2-((5-methyl-1,3,4-thiadiazol-2-yl)thio)ethyl)-1H-purine-2,6(3H,7H)-dione, 8-(4-benzylpiperidin-1-yl)-3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione, 8-(4-benzylpiperidin-1-yl)-3-methyl-7-{2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl}-2,3,6,7-tetrahydro-1H-purine-2,6-dione
| Molecular Formula | C23H27N7O2S2 |
|---|---|
| Molecular Weight | 497.17 g/mol |
| LogP | 2.83462 |
| Topological Polar Surface Area | 101.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 7 |
| Exact Mass | 497.16678 |
| Heavy Atoms | 34 |
| Complexity | 1398.4554 |
Chemical Identifiers
| CAS Number | 672913-78-9 |
|---|---|
| SMILES | CC1=NN=C(S1)SCCN2C3=C(N=C2N4CCC(CC4)CC5=CC=CC=C5)N(C(=O)NC3=O)C |
Product Overview
AB00427774-04 (CAS 672913-78-9), with molecular formula C23H27N7O2S2 and molecular weight 497.17 g/mol. IUPAC: 8-(4-benzylpiperidin-1-yl)-3-methyl-7-[2-[(5-methyl-1,3,4-thiadiazol-2-yl)sulfanyl]ethyl]purine-2,6-dione.
Chemical Property Profile of AB00427774-04
Property Insights of AB00427774-04
The XLogP value of 2.83462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for AB00427774-04. The TPSA of 101.7 Ų falls within the moderate polarity range, balancing permeability and solubility for AB00427774-04. Following Lipinski's Rule of Five, AB00427774-04 has 1 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 AB00427774-04?
The CAS number of AB00427774-04 is 672913-78-9.
What is the molecular formula of AB00427774-04?
The molecular formula of AB00427774-04 is C23H27N7O2S2.
What is the molecular weight of AB00427774-04?
The molecular weight of AB00427774-04 is 497.17 g/mol.
Where can I buy AB00427774-04?
You can request a quote for AB00427774-04 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for AB00427774-04?
Yes, KEHONG BIO provides custom synthesis services for AB00427774-04 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.