F1601-0079
TL;DR: F1601-0079 (CAS 865655-45-4) is a chemical compound with molecular formula C25H20ClN3O2S and molecular weight 461.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[[4-(4-chlorophenyl)-3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-6-yl]methyl]benzonitrile
Also Known As: F1601-0079, 2-((3-(4-chlorophenyl)-2,4-dioxo-2,3,4,5,6,7,8,9-octahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1-yl)methyl)benzonitrile, 2-{[4-(4-chlorophenyl)-3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2(7)-dien-6-yl]methyl}benzonitrile, 2-[[4-(4-chlorophenyl)-3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-6-yl]methyl]benzonitrile, 2-{[3-(4-chlorophenyl)-2,4-dioxo-3,4,6,7,8,9-hexahydro-2H-cyclohepta[4,5]thieno[2,3-d]pyrimidin-1(5H)-yl]methyl}benzonitrile
| Molecular Formula | C25H20ClN3O2S |
|---|---|
| Molecular Weight | 461.10 g/mol |
| LogP | 5.05618 |
| Topological Polar Surface Area | 67.79 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 461.09647 |
| Heavy Atoms | 32 |
| Complexity | 1489.3738 |
Chemical Identifiers
| CAS Number | 865655-45-4 |
|---|---|
| SMILES | C1CCC2=C(CC1)SC3=C2C(=O)N(C(=O)N3CC4=CC=CC=C4C#N)C5=CC=C(C=C5)Cl |
Product Overview
F1601-0079 (CAS 865655-45-4), with molecular formula C25H20ClN3O2S and molecular weight 461.10 g/mol. IUPAC: 2-[[4-(4-chlorophenyl)-3,5-dioxo-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-dien-6-yl]methyl]benzonitrile.
Chemical Property Profile of F1601-0079
Property Insights of F1601-0079
The XLogP value of 5.05618 indicates that F1601-0079 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 F1601-0079. Following Lipinski's Rule of Five, F1601-0079 has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1601-0079?
The CAS number of F1601-0079 is 865655-45-4.
What is the molecular formula of F1601-0079?
The molecular formula of F1601-0079 is C25H20ClN3O2S.
What is the molecular weight of F1601-0079?
The molecular weight of F1601-0079 is 461.10 g/mol.
Where can I buy F1601-0079?
You can request a quote for F1601-0079 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1601-0079?
Yes, KEHONG BIO provides custom synthesis services for F1601-0079 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.