F1601-0584
TL;DR: F1601-0584 (CAS 866015-93-2) is a chemical compound with molecular formula C22H16ClN3O4S and molecular weight 453.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-chlorophenyl)-9-[(3-nitrophenyl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione
Also Known As: F1601-0584, 11-(4-chlorophenyl)-9-[(3-nitrophenyl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.0^{2,6}]dodeca-1(8),2(6)-diene-10,12-dione, 3-(4-chlorophenyl)-1-(3-nitrobenzyl)-6,7-dihydro-1H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione, 11-(4-chlorophenyl)-9-[(3-nitrophenyl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione, 3-(4-chlorophenyl)-1-(3-nitrobenzyl)-1,5,6,7-tetrahydro-2H-cyclopenta[4,5]thieno[2,3-d]pyrimidine-2,4(3H)-dione
| Molecular Formula | C22H16ClN3O4S |
|---|---|
| Molecular Weight | 453.06 g/mol |
| LogP | 4.3125 |
| Topological Polar Surface Area | 87.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 453.055 |
| Heavy Atoms | 31 |
| Complexity | 1467.3756 |
Chemical Identifiers
| CAS Number | 866015-93-2 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=O)N3CC4=CC(=CC=C4)[N+](=O)[O-])C5=CC=C(C=C5)Cl |
Product Overview
F1601-0584 (CAS 866015-93-2), with molecular formula C22H16ClN3O4S and molecular weight 453.06 g/mol. IUPAC: 11-(4-chlorophenyl)-9-[(3-nitrophenyl)methyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6)-diene-10,12-dione.
Chemical Property Profile of F1601-0584
Property Insights of F1601-0584
The XLogP value of 4.3125 indicates that F1601-0584 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 87.14 Ų falls within the moderate polarity range, balancing permeability and solubility for F1601-0584. Following Lipinski's Rule of Five, F1601-0584 has 0 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 F1601-0584?
The CAS number of F1601-0584 is 866015-93-2.
What is the molecular formula of F1601-0584?
The molecular formula of F1601-0584 is C22H16ClN3O4S.
What is the molecular weight of F1601-0584?
The molecular weight of F1601-0584 is 453.06 g/mol.
Where can I buy F1601-0584?
You can request a quote for F1601-0584 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1601-0584?
Yes, KEHONG BIO provides custom synthesis services for F1601-0584 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.