A3617/0153372
TL;DR: A3617/0153372 (CAS 697231-00-8) is a chemical compound with molecular formula C22H24F3N5O3S and molecular weight 495.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclopentyl-2-[1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]purin-8-yl]sulfanylacetamide
Also Known As: A3617/0153372, N-cyclopentyl-2-[1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]purin-8-yl]sulfanylacetamide, N-cyclopentyl-2-((1,3-dimethyl-2,6-dioxo-7-(3-(trifluoromethyl)benzyl)-2,3,6,7-tetrahydro-1H-purin-8-yl)thio)acetamide, N-cyclopentyl-2-({1,3-dimethyl-2,6-dioxo-7-[3-(trifluoromethyl)benzyl]-2,3,6,7-tetrahydro-1H-purin-8-yl}sulfanyl)acetamide, N-CYCLOPENTYL-2-[(1,3-DIMETHYL-2,6-DIOXO-7-{[3-(TRIFLUOROMETHYL)PHENYL]METHYL}-2,3,6,7-TETRAHYDRO-1H-PURIN-8-YL)SULFANYL]ACETAMIDE
| Molecular Formula | C22H24F3N5O3S |
|---|---|
| Molecular Weight | 495.16 g/mol |
| LogP | 2.6517 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.15518 |
| Heavy Atoms | 34 |
| Complexity | 1352.7849 |
Chemical Identifiers
| CAS Number | 697231-00-8 |
|---|---|
| SMILES | CN1C2=C(C(=O)N(C1=O)C)N(C(=N2)SCC(=O)NC3CCCC3)CC4=CC(=CC=C4)C(F)(F)F |
Product Overview
A3617/0153372 (CAS 697231-00-8), with molecular formula C22H24F3N5O3S and molecular weight 495.16 g/mol. IUPAC: N-cyclopentyl-2-[1,3-dimethyl-2,6-dioxo-7-[[3-(trifluoromethyl)phenyl]methyl]purin-8-yl]sulfanylacetamide.
Chemical Property Profile of A3617/0153372
Property Insights of A3617/0153372
The XLogP value of 2.6517 suggests moderate lipophilicity, balancing water solubility and membrane permeability for A3617/0153372. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for A3617/0153372. Following Lipinski's Rule of Five, A3617/0153372 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 A3617/0153372?
The CAS number of A3617/0153372 is 697231-00-8.
What is the molecular formula of A3617/0153372?
The molecular formula of A3617/0153372 is C22H24F3N5O3S.
What is the molecular weight of A3617/0153372?
The molecular weight of A3617/0153372 is 495.16 g/mol.
Where can I buy A3617/0153372?
You can request a quote for A3617/0153372 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for A3617/0153372?
Yes, KEHONG BIO provides custom synthesis services for A3617/0153372 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.