S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate
TL;DR: S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate (CAS 331462-27-2) is a chemical compound with molecular formula C15H10ClNO3S and molecular weight 319.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate
Also Known As: S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate, 1-(4-chlorophenyl)sulfanyl-3-(3-nitrophenyl)prop-2-en-1-one, S-(4-chlorophenyl) (E)-3-(3-nitrophenyl)-2-propenethioate
| Molecular Formula | C15H10ClNO3S |
|---|---|
| Molecular Weight | 319.01 g/mol |
| LogP | 4.5803 |
| Topological Polar Surface Area | 60.21 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 319.007 |
| Heavy Atoms | 21 |
| Complexity | 698.3198 |
Chemical Identifiers
| CAS Number | 331462-27-2 |
|---|---|
| SMILES | C1=CC(=CC(=C1)[N+](=O)[O-])C=CC(=O)SC2=CC=C(C=C2)Cl |
Product Overview
S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate (CAS 331462-27-2), with molecular formula C15H10ClNO3S and molecular weight 319.01 g/mol. IUPAC: S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate.
Chemical Property Profile of S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate
Property Insights of S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate
The XLogP value of 4.5803 indicates that S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 60.21 Ų falls within the moderate polarity range, balancing permeability and solubility for S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate. Following Lipinski's Rule of Five, S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate?
The CAS number of S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate is 331462-27-2.
What is the molecular formula of S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate?
The molecular formula of S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate is C15H10ClNO3S.
What is the molecular weight of S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate?
The molecular weight of S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate is 319.01 g/mol.
Where can I buy S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate?
You can request a quote for S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate?
Yes, KEHONG BIO provides custom synthesis services for S-(4-chlorophenyl) 3-(3-nitrophenyl)prop-2-enethioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.