3-(4-chloroanilino)-N-phenyl-2-butenethioamide
TL;DR: 3-(4-chloroanilino)-N-phenyl-2-butenethioamide (CAS 5669-64-7) is a chemical compound with molecular formula C16H15ClN2S and molecular weight 302.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-3-(4-chloroanilino)-N-phenylbut-2-enethioamide
Also Known As: 3-(4-chloroanilino)-N-phenyl-2-butenethioamide, BIM-0032427.P001, (E)-3-(4-chloroanilino)-N-phenylbut-2-enethioamide, AF-399/36011003, (2E)-3-(4-Chloroanilino)-N-phenylbut-2-enethioamide
| Molecular Formula | C16H15ClN2S |
|---|---|
| Molecular Weight | 302.06 g/mol |
| LogP | 5.0952 |
| Topological Polar Surface Area | 24.06 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 302.06445 |
| Heavy Atoms | 20 |
| Complexity | 606.1338 |
Chemical Identifiers
| CAS Number | 5669-64-7 |
|---|---|
| SMILES | C/C(=C\C(=S)NC1=CC=CC=C1)/NC2=CC=C(C=C2)Cl |
Product Overview
3-(4-chloroanilino)-N-phenyl-2-butenethioamide (CAS 5669-64-7), with molecular formula C16H15ClN2S and molecular weight 302.06 g/mol. IUPAC: (E)-3-(4-chloroanilino)-N-phenylbut-2-enethioamide.
Chemical Property Profile of 3-(4-chloroanilino)-N-phenyl-2-butenethioamide
Property Insights of 3-(4-chloroanilino)-N-phenyl-2-butenethioamide
The XLogP value of 5.0952 indicates that 3-(4-chloroanilino)-N-phenyl-2-butenethioamide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 24.06 Ų, 3-(4-chloroanilino)-N-phenyl-2-butenethioamide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(4-chloroanilino)-N-phenyl-2-butenethioamide has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(4-chloroanilino)-N-phenyl-2-butenethioamide?
The CAS number of 3-(4-chloroanilino)-N-phenyl-2-butenethioamide is 5669-64-7.
What is the molecular formula of 3-(4-chloroanilino)-N-phenyl-2-butenethioamide?
The molecular formula of 3-(4-chloroanilino)-N-phenyl-2-butenethioamide is C16H15ClN2S.
What is the molecular weight of 3-(4-chloroanilino)-N-phenyl-2-butenethioamide?
The molecular weight of 3-(4-chloroanilino)-N-phenyl-2-butenethioamide is 302.06 g/mol.
Where can I buy 3-(4-chloroanilino)-N-phenyl-2-butenethioamide?
You can request a quote for 3-(4-chloroanilino)-N-phenyl-2-butenethioamide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(4-chloroanilino)-N-phenyl-2-butenethioamide?
Yes, KEHONG BIO provides custom synthesis services for 3-(4-chloroanilino)-N-phenyl-2-butenethioamide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.