NCI60_018088
TL;DR: NCI60_018088 (CAS 1577-33-9) is a chemical compound with molecular formula C12H13ClO and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-chlorophenyl)-4-methylpent-1-en-3-one
Also Known As: NCI60_018088, 1-(4-chlorophenyl)-4-methyl-1-penten-3-one, 1-(4-Chlorophenyl)-4-methylpent-1-en-3-one
| Molecular Formula | C12H13ClO |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 3 |
| Exact Mass | 208.06549 |
| Heavy Atoms | 14 |
| Complexity | 212.0 |
Chemical Identifiers
| CAS Number | 1577-33-9 |
|---|---|
| SMILES | CC(C)C(=O)C=CC1=CC=C(C=C1)Cl |
| InChIKey | JDMLNXSURTZNJA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
NCI60_018088 (CAS 1577-33-9), with molecular formula C12H13ClO and molecular weight 208.07 g/mol. IUPAC: 1-(4-chlorophenyl)-4-methylpent-1-en-3-one.
Chemical Property Profile of NCI60_018088
Property Insights of NCI60_018088
The XLogP value of 3.7 indicates that NCI60_018088 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 17.1 Ų, NCI60_018088 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, NCI60_018088 has 0 hydrogen bond donor(s) and 1 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 NCI60_018088?
The CAS number of NCI60_018088 is 1577-33-9.
What is the molecular formula of NCI60_018088?
The molecular formula of NCI60_018088 is C12H13ClO.
What is the molecular weight of NCI60_018088?
The molecular weight of NCI60_018088 is 208.07 g/mol.
Where can I buy NCI60_018088?
You can request a quote for NCI60_018088 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for NCI60_018088?
Yes, KEHONG BIO provides custom synthesis services for NCI60_018088 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.