C21H18ClNOS
TL;DR: C21H18ClNOS (CAS 69512-72-7) is a chemical compound with molecular formula C21H18ClNOS and molecular weight 367.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-1-[5-(4-chlorophenyl)thiophen-2-yl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one
Also Known As: (2E)-1-[5-(4-chlorophenyl)thiophen-2-yl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one, (E)-1-(5-(4-chlorophenyl)thiophen-2-yl)-3-(4-(dimethylamino)phenyl)prop-2-en-1-one, (E)-1-[5-(4-chlorophenyl)thiophen-2-yl]-3-(4-dimethylaminophenyl)prop-2-en-1-one
| Molecular Formula | C21H18ClNOS |
|---|---|
| Molecular Weight | 367.08 g/mol |
| LogP | 6.0306 |
| Topological Polar Surface Area | 20.31 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 367.07977 |
| Heavy Atoms | 25 |
| Complexity | 892.4053 |
Chemical Identifiers
| CAS Number | 69512-72-7 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)/C=C/C(=O)C2=CC=C(S2)C3=CC=C(C=C3)Cl |
Product Overview
C21H18ClNOS (CAS 69512-72-7), with molecular formula C21H18ClNOS and molecular weight 367.08 g/mol. IUPAC: (E)-1-[5-(4-chlorophenyl)thiophen-2-yl]-3-[4-(dimethylamino)phenyl]prop-2-en-1-one.
Chemical Property Profile of C21H18ClNOS
Property Insights of C21H18ClNOS
The XLogP value of 6.0306 indicates that C21H18ClNOS is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 20.31 Ų, C21H18ClNOS exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, C21H18ClNOS has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of C21H18ClNOS?
The CAS number of C21H18ClNOS is 69512-72-7.
What is the molecular formula of C21H18ClNOS?
The molecular formula of C21H18ClNOS is C21H18ClNOS.
What is the molecular weight of C21H18ClNOS?
The molecular weight of C21H18ClNOS is 367.08 g/mol.
Where can I buy C21H18ClNOS?
You can request a quote for C21H18ClNOS directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C21H18ClNOS?
Yes, KEHONG BIO provides custom synthesis services for C21H18ClNOS and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.