F1601-0088
TL;DR: F1601-0088 (CAS 865655-54-5) is a chemical compound with molecular formula C31H34N4O4S and molecular weight 558.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(4-ethoxyphenyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione
Also Known As: F1601-0088, 3-(4-ethoxyphenyl)-1-(2-oxo-2-(4-phenylpiperazin-1-yl)ethyl)-6,7,8,9-tetrahydro-1H-cyclohepta[4,5]thieno[2,3-d]pyrimidine-2,4(3H,5H)-dione, 4-(4-ethoxyphenyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-8-thia-4,6-diazatricyclo[7.5.0.0^{2,7}]tetradeca-1(9),2(7)-diene-3,5-dione, 3-(4-ETHOXYPHENYL)-1-[2-OXO-2-(4-PHENYLPIPERAZINO)ETHYL]-1,5,6,7,8,9-HEXAHYDRO-2H-CYCLOHEPTA[4,5]THIENO[2,3-D]PYRIMIDINE-2,4(3H)-DIONE, 4-(4-ethoxyphenyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione
| Molecular Formula | C31H34N4O4S |
|---|---|
| Molecular Weight | 558.23 g/mol |
| LogP | 4.2303 |
| Topological Polar Surface Area | 76.78 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 558.2301 |
| Heavy Atoms | 40 |
| Complexity | 1630.6057 |
Chemical Identifiers
| CAS Number | 865655-54-5 |
|---|---|
| SMILES | CCOC1=CC=C(C=C1)N2C(=O)C3=C(N(C2=O)CC(=O)N4CCN(CC4)C5=CC=CC=C5)SC6=C3CCCCC6 |
Product Overview
F1601-0088 (CAS 865655-54-5), with molecular formula C31H34N4O4S and molecular weight 558.23 g/mol. IUPAC: 4-(4-ethoxyphenyl)-6-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-8-thia-4,6-diazatricyclo[7.5.0.02,7]tetradeca-1(9),2(7)-diene-3,5-dione.
Chemical Property Profile of F1601-0088
Property Insights of F1601-0088
The XLogP value of 4.2303 indicates that F1601-0088 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 76.78 Ų falls within the moderate polarity range, balancing permeability and solubility for F1601-0088. Following Lipinski's Rule of Five, F1601-0088 has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1601-0088?
The CAS number of F1601-0088 is 865655-54-5.
What is the molecular formula of F1601-0088?
The molecular formula of F1601-0088 is C31H34N4O4S.
What is the molecular weight of F1601-0088?
The molecular weight of F1601-0088 is 558.23 g/mol.
Where can I buy F1601-0088?
You can request a quote for F1601-0088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1601-0088?
Yes, KEHONG BIO provides custom synthesis services for F1601-0088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.