F2599-0116
TL;DR: F2599-0116 (CAS 897453-96-2) is a chemical compound with molecular formula C17H18ClN5O3S and molecular weight 407.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-chloro-4-methylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide
Also Known As: F2599-0116, N-(3-chloro-4-methylphenyl)-2-[(1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)sulfanyl]acetamide, N-(3-chloro-4-methylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide, N-(3-chloro-4-methylphenyl)-2-((1,3,9-trimethyl-2,6-dioxo-2,3,6,9-tetrahydro-1H-purin-8-yl)thio)acetamide
| Molecular Formula | C17H18ClN5O3S |
|---|---|
| Molecular Weight | 407.08 g/mol |
| LogP | 1.66332 |
| Topological Polar Surface Area | 90.92 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 407.08188 |
| Heavy Atoms | 27 |
| Complexity | 1177.9963 |
Chemical Identifiers
| CAS Number | 897453-96-2 |
|---|---|
| SMILES | CC1=C(C=C(C=C1)NC(=O)CSC2=NC3=C(N2C)N(C(=O)N(C3=O)C)C)Cl |
Product Overview
F2599-0116 (CAS 897453-96-2), with molecular formula C17H18ClN5O3S and molecular weight 407.08 g/mol. IUPAC: N-(3-chloro-4-methylphenyl)-2-(1,3,9-trimethyl-2,6-dioxopurin-8-yl)sulfanylacetamide.
Chemical Property Profile of F2599-0116
Property Insights of F2599-0116
The XLogP value of 1.66332 suggests moderate lipophilicity, balancing water solubility and membrane permeability for F2599-0116. The TPSA of 90.92 Ų falls within the moderate polarity range, balancing permeability and solubility for F2599-0116. Following Lipinski's Rule of Five, F2599-0116 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 F2599-0116?
The CAS number of F2599-0116 is 897453-96-2.
What is the molecular formula of F2599-0116?
The molecular formula of F2599-0116 is C17H18ClN5O3S.
What is the molecular weight of F2599-0116?
The molecular weight of F2599-0116 is 407.08 g/mol.
Where can I buy F2599-0116?
You can request a quote for F2599-0116 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F2599-0116?
Yes, KEHONG BIO provides custom synthesis services for F2599-0116 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.