F1601-0598
TL;DR: F1601-0598 (CAS 866016-06-0) is a chemical compound with molecular formula C24H19N3O2S and molecular weight 413.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(11-benzyl-10,12-dioxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-9-yl)methyl]benzonitrile
Also Known As: F1601-0598, 2-((3-benzyl-2,4-dioxo-2,3,4,5,6,7-hexahydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1-yl)methyl)benzonitrile, 2-[(11-benzyl-10,12-dioxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-9-yl)methyl]benzonitrile, 2-[(3-benzyl-2,4-dioxo-3,4,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl)methyl]benzonitrile, 2-{[3-BENZYL-2,4-DIOXO-3,4,6,7-TETRAHYDRO-2H-CYCLOPENTA[4,5]THIENO[2,3-D]PYRIMIDIN-1(5H)-YL]METHYL}BENZONITRILE
| Molecular Formula | C24H19N3O2S |
|---|---|
| Molecular Weight | 413.12 g/mol |
| LogP | 3.68168 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 413.1198 |
| Heavy Atoms | 30 |
| Complexity | 1421.3414 |
Chemical Identifiers
| CAS Number | 866016-06-0 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4C#N)CC5=CC=CC=C5 |
Product Overview
F1601-0598 (CAS 866016-06-0), with molecular formula C24H19N3O2S and molecular weight 413.12 g/mol. IUPAC: 2-[(11-benzyl-10,12-dioxo-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-dien-9-yl)methyl]benzonitrile.
Chemical Property Profile of F1601-0598
Property Insights of F1601-0598
The XLogP value of 3.68168 indicates that F1601-0598 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.79 Ų falls within the moderate polarity range, balancing permeability and solubility for F1601-0598. Following Lipinski's Rule of Five, F1601-0598 has 0 hydrogen bond donor(s) and 4 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 F1601-0598?
The CAS number of F1601-0598 is 866016-06-0.
What is the molecular formula of F1601-0598?
The molecular formula of F1601-0598 is C24H19N3O2S.
What is the molecular weight of F1601-0598?
The molecular weight of F1601-0598 is 413.12 g/mol.
Where can I buy F1601-0598?
You can request a quote for F1601-0598 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1601-0598?
Yes, KEHONG BIO provides custom synthesis services for F1601-0598 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.