2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy-
TL;DR: 2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy- (CAS 112370-75-9) is a chemical compound with molecular formula C12H12ClNO2 and molecular weight 237.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(3-chloroanilino)-4-methoxycyclopent-2-en-1-one
Also Known As: 2-(3-chloroanilino)-4-methoxycyclopent-2-en-1-one, 2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy-, NCI60_005939, 2-(m-chloroanilino)-4-methoxycyclopent-2-enone, 2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy
| Molecular Formula | C12H12ClNO2 |
|---|---|
| Molecular Weight | 237.06 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 237.05565 |
| Heavy Atoms | 16 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 112370-75-9 |
|---|---|
| SMILES | COC1CC(=O)C(=C1)NC2=CC(=CC=C2)Cl |
| InChIKey | DMLFZPPSYYJZHM-UHFFFAOYSA-N |
Product Overview
2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy- (CAS 112370-75-9), with molecular formula C12H12ClNO2 and molecular weight 237.06 g/mol. IUPAC: 2-(3-chloroanilino)-4-methoxycyclopent-2-en-1-one.
Chemical Property Profile of 2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy-
Property Insights of 2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy-
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy-. With a topological polar surface area (TPSA) of 38.3 Ų, 2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy- has 1 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 2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy-?
The CAS number of 2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy- is 112370-75-9.
What is the molecular formula of 2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy-?
The molecular formula of 2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy- is C12H12ClNO2.
What is the molecular weight of 2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy-?
The molecular weight of 2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy- is 237.06 g/mol.
Where can I buy 2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy-?
You can request a quote for 2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy-?
Yes, KEHONG BIO provides custom synthesis services for 2-Cyclopentenone, 2-(3-chloroanilino)-4-methoxy- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.