2-(4-Acetylanilino)-2-oxoethyl 1-pyrrolidinecarbodithioate
TL;DR: 2-(4-Acetylanilino)-2-oxoethyl 1-pyrrolidinecarbodithioate (CAS 331850-67-0) is a chemical compound with molecular formula C15H18N2O2S2 and molecular weight 322.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-acetylanilino)-2-oxoethyl] pyrrolidine-1-carbodithioate
Also Known As: 2-(4-acetylanilino)-2-oxoethyl 1-pyrrolidinecarbodithioate, BAS 00631833, [2-(4-acetylanilino)-2-oxoethyl] pyrrolidine-1-carbodithioate, [(4-ACETYLPHENYL)CARBAMOYL]METHYL PYRROLIDINE-1-CARBODITHIOATE, Pyrrolidine-1-carbodithioic acid (4-acetyl-phenylcarbamoyl)-methyl ester
| Molecular Formula | C15H18N2O2S2 |
|---|---|
| Molecular Weight | 322.08 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 107.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 322.08096 |
| Heavy Atoms | 21 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 331850-67-0 |
|---|---|
| SMILES | CC(=O)C1=CC=C(C=C1)NC(=O)CSC(=S)N2CCCC2 |
| InChIKey | KDTDBSRHGARCAV-UHFFFAOYSA-N |
Product Overview
2-(4-Acetylanilino)-2-oxoethyl 1-pyrrolidinecarbodithioate (CAS 331850-67-0), with molecular formula C15H18N2O2S2 and molecular weight 322.08 g/mol. IUPAC: [2-(4-acetylanilino)-2-oxoethyl] pyrrolidine-1-carbodithioate.
Chemical Property Profile of 2-(4-Acetylanilino)-2-oxoethyl 1-pyrrolidinecarbodithioate
Property Insights of 2-(4-Acetylanilino)-2-oxoethyl 1-pyrrolidinecarbodithioate
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(4-Acetylanilino)-2-oxoethyl 1-pyrrolidinecarbodithioate. The TPSA of 107.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(4-Acetylanilino)-2-oxoethyl 1-pyrrolidinecarbodithioate. Following Lipinski's Rule of Five, 2-(4-Acetylanilino)-2-oxoethyl 1-pyrrolidinecarbodithioate has 1 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 2-(4-Acetylanilino)-2-oxoethyl 1-pyrrolidinecarbodithioate?
The CAS number of 2-(4-Acetylanilino)-2-oxoethyl 1-pyrrolidinecarbodithioate is 331850-67-0.
What is the molecular formula of 2-(4-Acetylanilino)-2-oxoethyl 1-pyrrolidinecarbodithioate?
The molecular formula of 2-(4-Acetylanilino)-2-oxoethyl 1-pyrrolidinecarbodithioate is C15H18N2O2S2.
What is the molecular weight of 2-(4-Acetylanilino)-2-oxoethyl 1-pyrrolidinecarbodithioate?
The molecular weight of 2-(4-Acetylanilino)-2-oxoethyl 1-pyrrolidinecarbodithioate is 322.08 g/mol.
Where can I buy 2-(4-Acetylanilino)-2-oxoethyl 1-pyrrolidinecarbodithioate?
You can request a quote for 2-(4-Acetylanilino)-2-oxoethyl 1-pyrrolidinecarbodithioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(4-Acetylanilino)-2-oxoethyl 1-pyrrolidinecarbodithioate?
Yes, KEHONG BIO provides custom synthesis services for 2-(4-Acetylanilino)-2-oxoethyl 1-pyrrolidinecarbodithioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.