C22H15ClF2N2OS2
TL;DR: C22H15ClF2N2OS2 (CAS 577695-87-5) is a chemical compound with molecular formula C22H15ClF2N2OS2 and molecular weight 460.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
11-(4-chlorophenyl)-10-[(2,6-difluorophenyl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one
Also Known As: 2-[(2,6-difluorophenyl)methylthio]-3-(4-chlorophenyl)-3,5,6,7-tetrahydrocyclop enta[2,1-d]pyrimidino[4,5-b]thiophen-4-one, 3-(4-chlorophenyl)-2-((2,6-difluorobenzyl)thio)-6,7-dihydro-3H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4(5H)-one, 3-(4-chlorophenyl)-2-[(2,6-difluorobenzyl)sulfanyl]-3,5,6,7-tetrahydro-4H-cyclopenta[4,5]thieno[2,3-d]pyrimidin-4-one, C22H15ClF2N2OS2
| Molecular Formula | C22H15ClF2N2OS2 |
|---|---|
| Molecular Weight | 460.03 g/mol |
| LogP | 6.1598 |
| Topological Polar Surface Area | 34.89 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 460.02823 |
| Heavy Atoms | 30 |
| Complexity | 1311.713 |
Chemical Identifiers
| CAS Number | 577695-87-5 |
|---|---|
| SMILES | C1CC2=C(C1)SC3=C2C(=O)N(C(=N3)SCC4=C(C=CC=C4F)F)C5=CC=C(C=C5)Cl |
Product Overview
C22H15ClF2N2OS2 (CAS 577695-87-5), with molecular formula C22H15ClF2N2OS2 and molecular weight 460.03 g/mol. IUPAC: 11-(4-chlorophenyl)-10-[(2,6-difluorophenyl)methylsulfanyl]-7-thia-9,11-diazatricyclo[6.4.0.02,6]dodeca-1(8),2(6),9-trien-12-one.
Chemical Property Profile of C22H15ClF2N2OS2
Property Insights of C22H15ClF2N2OS2
The XLogP value of 6.1598 indicates that C22H15ClF2N2OS2 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.89 Ų, C22H15ClF2N2OS2 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C22H15ClF2N2OS2 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 C22H15ClF2N2OS2?
The CAS number of C22H15ClF2N2OS2 is 577695-87-5.
What is the molecular formula of C22H15ClF2N2OS2?
The molecular formula of C22H15ClF2N2OS2 is C22H15ClF2N2OS2.
What is the molecular weight of C22H15ClF2N2OS2?
The molecular weight of C22H15ClF2N2OS2 is 460.03 g/mol.
Where can I buy C22H15ClF2N2OS2?
You can request a quote for C22H15ClF2N2OS2 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C22H15ClF2N2OS2?
Yes, KEHONG BIO provides custom synthesis services for C22H15ClF2N2OS2 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.