CAS 6917-65-3 - C21H18BrCl2N5O3S
TL;DR: CAS 6917-65-3 - C21H18BrCl2N5O3S (CAS 6917-65-3) is a chemical compound with molecular formula C21H18BrCl2N5O3S and molecular weight 568.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide
| Molecular Formula | C21H18BrCl2N5O3S |
|---|---|
| Molecular Weight | 568.97 g/mol |
| LogP | 5.0604 |
| Topological Polar Surface Area | 101.63 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 568.96906 |
| Heavy Atoms | 33 |
| Complexity | 1171.452 |
Chemical Identifiers
| CAS Number | 6917-65-3 |
|---|---|
| SMILES | C=CCN1C(=NN=C1SCC(=O)NN=CC2=C(C(=CC(=C2)Cl)Br)O)COC3=CC=C(C=C3)Cl |
Product Overview
CAS 6917-65-3 - C21H18BrCl2N5O3S (CAS 6917-65-3), with molecular formula C21H18BrCl2N5O3S and molecular weight 568.97 g/mol. IUPAC: N-[(3-bromo-5-chloro-2-hydroxyphenyl)methylideneamino]-2-[[5-[(4-chlorophenoxy)methyl]-4-prop-2-enyl-1,2,4-triazol-3-yl]sulfanyl]acetamide.
Chemical Property Profile of CAS 6917-65-3 - C21H18BrCl2N5O3S
Property Insights of CAS 6917-65-3 - C21H18BrCl2N5O3S
The XLogP value of 5.0604 indicates that CAS 6917-65-3 - C21H18BrCl2N5O3S is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.63 Ų falls within the moderate polarity range, balancing permeability and solubility for CAS 6917-65-3 - C21H18BrCl2N5O3S. Following Lipinski's Rule of Five, CAS 6917-65-3 - C21H18BrCl2N5O3S has 2 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of CAS 6917-65-3 - C21H18BrCl2N5O3S?
The CAS number of CAS 6917-65-3 - C21H18BrCl2N5O3S is 6917-65-3.
What is the molecular formula of CAS 6917-65-3 - C21H18BrCl2N5O3S?
The molecular formula of CAS 6917-65-3 - C21H18BrCl2N5O3S is C21H18BrCl2N5O3S.
What is the molecular weight of CAS 6917-65-3 - C21H18BrCl2N5O3S?
The molecular weight of CAS 6917-65-3 - C21H18BrCl2N5O3S is 568.97 g/mol.
Where can I buy CAS 6917-65-3 - C21H18BrCl2N5O3S?
You can request a quote for CAS 6917-65-3 - C21H18BrCl2N5O3S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CAS 6917-65-3 - C21H18BrCl2N5O3S?
Yes, KEHONG BIO provides custom synthesis services for CAS 6917-65-3 - C21H18BrCl2N5O3S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.