CAS 7061-98-5 - C22H12BrClN2O2S
TL;DR: CAS 7061-98-5 - C22H12BrClN2O2S (CAS 7061-98-5) is a chemical compound with molecular formula C22H12BrClN2O2S and molecular weight 481.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[5-(2-chlorophenyl)furan-2-yl]-3-hydroxyprop-2-enenitrile
| Molecular Formula | C22H12BrClN2O2S |
|---|---|
| Molecular Weight | 481.95 g/mol |
| LogP | 7.43588 |
| Topological Polar Surface Area | 70.05 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 481.94913 |
| Heavy Atoms | 29 |
| Complexity | 1252.3153 |
Chemical Identifiers
| CAS Number | 7061-98-5 |
|---|---|
| SMILES | C1=CC=C(C(=C1)C2=CC=C(O2)C(=C(C#N)C3=NC(=CS3)C4=CC=C(C=C4)Br)O)Cl |
Product Overview
CAS 7061-98-5 - C22H12BrClN2O2S (CAS 7061-98-5), with molecular formula C22H12BrClN2O2S and molecular weight 481.95 g/mol. IUPAC: 2-[4-(4-bromophenyl)-1,3-thiazol-2-yl]-3-[5-(2-chlorophenyl)furan-2-yl]-3-hydroxyprop-2-enenitrile.
Chemical Property Profile of CAS 7061-98-5 - C22H12BrClN2O2S
Property Insights of CAS 7061-98-5 - C22H12BrClN2O2S
The XLogP value of 7.43588 indicates that CAS 7061-98-5 - C22H12BrClN2O2S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 70.05 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 7061-98-5 - C22H12BrClN2O2S. Following Lipinski's Rule of Five, CAS 7061-98-5 - C22H12BrClN2O2S has 1 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 CAS 7061-98-5 - C22H12BrClN2O2S?
The CAS number of CAS 7061-98-5 - C22H12BrClN2O2S is 7061-98-5.
What is the molecular formula of CAS 7061-98-5 - C22H12BrClN2O2S?
The molecular formula of CAS 7061-98-5 - C22H12BrClN2O2S is C22H12BrClN2O2S.
What is the molecular weight of CAS 7061-98-5 - C22H12BrClN2O2S?
The molecular weight of CAS 7061-98-5 - C22H12BrClN2O2S is 481.95 g/mol.
Where can I buy CAS 7061-98-5 - C22H12BrClN2O2S?
You can request a quote for CAS 7061-98-5 - C22H12BrClN2O2S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 7061-98-5 - C22H12BrClN2O2S?
Yes, KEHONG BIO provides custom synthesis services for CAS 7061-98-5 - C22H12BrClN2O2S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.