Einecs 287-456-6
TL;DR: Einecs 287-456-6 (CAS 85508-30-1) is a chemical compound with molecular formula C14H15ClN2O3 and molecular weight 294.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorobenzoyl)-N,N-dimethyl-5-oxopyrrolidine-2-carboxamide
Also Known As: EINECS 287-456-6, EINECS 287-588-4, 1-(4-Chlorobenzoyl)-N,N-dimethyl-5-oxoprolinamide, (1)-1-(4-Chlorobenzoyl)-N,N-dimethyl-5-oxopyrrolidine-2-carboxamide, 1-(4-Chlorobenzoyl)-N,N-dimethyl-5-oxo-2-pyrrolidinecarboxamide
| Molecular Formula | C14H15ClN2O3 |
|---|---|
| Molecular Weight | 294.08 g/mol |
| LogP | 1.5594 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 294.07712 |
| Heavy Atoms | 20 |
| Complexity | 554.04236 |
Chemical Identifiers
| CAS Number | 85508-30-1 |
|---|---|
| SMILES | CN(C)C(=O)C1CCC(=O)N1C(=O)C2=CC=C(C=C2)Cl |
Product Overview
Einecs 287-456-6 (CAS 85508-30-1), with molecular formula C14H15ClN2O3 and molecular weight 294.08 g/mol. IUPAC: 1-(4-chlorobenzoyl)-N,N-dimethyl-5-oxopyrrolidine-2-carboxamide.
Chemical Property Profile of Einecs 287-456-6
Property Insights of Einecs 287-456-6
The XLogP value of 1.5594 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Einecs 287-456-6. With a topological polar surface area (TPSA) of 57.69 Ų, Einecs 287-456-6 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Einecs 287-456-6 has 0 hydrogen bond donor(s) and 3 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 Einecs 287-456-6?
The CAS number of Einecs 287-456-6 is 85508-30-1.
What is the molecular formula of Einecs 287-456-6?
The molecular formula of Einecs 287-456-6 is C14H15ClN2O3.
What is the molecular weight of Einecs 287-456-6?
The molecular weight of Einecs 287-456-6 is 294.08 g/mol.
Where can I buy Einecs 287-456-6?
You can request a quote for Einecs 287-456-6 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Einecs 287-456-6?
Yes, KEHONG BIO provides custom synthesis services for Einecs 287-456-6 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.