F1601-0550
TL;DR: F1601-0550 (CAS 866015-59-0) is a chemical compound with molecular formula C25H16BrClN2O2S2 and molecular weight 553.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-[(2-chlorophenyl)methyl]-[1]benzothiolo[3,2-d]pyrimidin-4-one
Also Known As: F1601-0550, 4-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-5-[(2-chlorophenyl)methyl]-8-thia-3,5-diazatricyclo[7.4.0.0^{2,7}]trideca-1(9),2(7),3,10,12-pentaen-6-one, 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-[(2-chlorophenyl)methyl]-[1]benzothiolo[3,2-d]pyrimidin-4-one, 2-((2-(4-bromophenyl)-2-oxoethyl)thio)-3-(2-chlorobenzyl)benzo[4,5]thieno[3,2-d]pyrimidin-4(3H)-one, 2-{[2-(4-bromophenyl)-2-oxoethyl]sulfanyl}-3-(2-chlorobenzyl)[1]benzothieno[3,2-d]pyrimidin-4(3H)-one
| Molecular Formula | C25H16BrClN2O2S2 |
|---|---|
| Molecular Weight | 553.95 g/mol |
| LogP | 7.0504 |
| Topological Polar Surface Area | 51.96 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 553.9525 |
| Heavy Atoms | 33 |
| Complexity | 1561.0894 |
Chemical Identifiers
| CAS Number | 866015-59-0 |
|---|---|
| SMILES | C1=CC=C(C(=C1)CN2C(=O)C3=C(C4=CC=CC=C4S3)N=C2SCC(=O)C5=CC=C(C=C5)Br)Cl |
Product Overview
F1601-0550 (CAS 866015-59-0), with molecular formula C25H16BrClN2O2S2 and molecular weight 553.95 g/mol. IUPAC: 2-[2-(4-bromophenyl)-2-oxoethyl]sulfanyl-3-[(2-chlorophenyl)methyl]-[1]benzothiolo[3,2-d]pyrimidin-4-one.
Chemical Property Profile of F1601-0550
Property Insights of F1601-0550
The XLogP value of 7.0504 indicates that F1601-0550 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.96 Ų, F1601-0550 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, F1601-0550 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of F1601-0550?
The CAS number of F1601-0550 is 866015-59-0.
What is the molecular formula of F1601-0550?
The molecular formula of F1601-0550 is C25H16BrClN2O2S2.
What is the molecular weight of F1601-0550?
The molecular weight of F1601-0550 is 553.95 g/mol.
Where can I buy F1601-0550?
You can request a quote for F1601-0550 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for F1601-0550?
Yes, KEHONG BIO provides custom synthesis services for F1601-0550 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.