3-Ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
TL;DR: 3-Ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one (CAS 1009240-72-5) is a chemical compound with molecular formula C14H17IN2O2 and molecular weight 372.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
Also Known As: 3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one, 3-ethyl-4-(3-iodo-4-methylbenzoyl)-2-piperazinone, BAS 12322676, 3-ethyl-4-(3-iodo-4-toluoyl)-2-piperazinone, F1723-0255
| Molecular Formula | C14H17IN2O2 |
|---|---|
| Molecular Weight | 372.03 g/mol |
| LogP | 1.95022 |
| Topological Polar Surface Area | 49.41 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 372.03348 |
| Heavy Atoms | 19 |
| Complexity | 516.1675 |
Chemical Identifiers
| CAS Number | 1009240-72-5 |
|---|---|
| SMILES | CCC1C(=O)NCCN1C(=O)C2=CC(=C(C=C2)C)I |
Product Overview
3-Ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one (CAS 1009240-72-5), with molecular formula C14H17IN2O2 and molecular weight 372.03 g/mol. IUPAC: 3-ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one.
Chemical Property Profile of 3-Ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
Property Insights of 3-Ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one
The XLogP value of 1.95022 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one. With a topological polar surface area (TPSA) of 49.41 Ų, 3-Ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one has 1 hydrogen bond donor(s) and 2 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 3-Ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one?
The CAS number of 3-Ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one is 1009240-72-5.
What is the molecular formula of 3-Ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one?
The molecular formula of 3-Ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one is C14H17IN2O2.
What is the molecular weight of 3-Ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one?
The molecular weight of 3-Ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one is 372.03 g/mol.
Where can I buy 3-Ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one?
You can request a quote for 3-Ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one?
Yes, KEHONG BIO provides custom synthesis services for 3-Ethyl-4-(3-iodo-4-methylbenzoyl)piperazin-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.