2-Chloro-3-(cyclopentylamino)naphthalene-1,4-dione
TL;DR: 2-Chloro-3-(cyclopentylamino)naphthalene-1,4-dione (CAS 57097-67-3) is a chemical compound with molecular formula C15H14ClNO2 and molecular weight 275.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-chloro-3-(cyclopentylamino)naphthalene-1,4-dione
Also Known As: 2-chloro-3-(cyclopentylamino)naphthalene-1,4-dione, 2-cyclopentylamino-3-chloro-1,4-naphthoquinone
| Molecular Formula | C15H14ClNO2 |
|---|---|
| Molecular Weight | 275.07 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 46.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 275.07132 |
| Heavy Atoms | 19 |
| Complexity | 437.0 |
Chemical Identifiers
| CAS Number | 57097-67-3 |
|---|---|
| SMILES | C1CCC(C1)NC2=C(C(=O)C3=CC=CC=C3C2=O)Cl |
| InChIKey | JAUMABDNQXOKAH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Chloro-3-(cyclopentylamino)naphthalene-1,4-dione (CAS 57097-67-3), with molecular formula C15H14ClNO2 and molecular weight 275.07 g/mol. IUPAC: 2-chloro-3-(cyclopentylamino)naphthalene-1,4-dione.
Chemical Property Profile of 2-Chloro-3-(cyclopentylamino)naphthalene-1,4-dione
Property Insights of 2-Chloro-3-(cyclopentylamino)naphthalene-1,4-dione
The XLogP value of 3.7 indicates that 2-Chloro-3-(cyclopentylamino)naphthalene-1,4-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.2 Ų, 2-Chloro-3-(cyclopentylamino)naphthalene-1,4-dione exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Chloro-3-(cyclopentylamino)naphthalene-1,4-dione 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-Chloro-3-(cyclopentylamino)naphthalene-1,4-dione?
The CAS number of 2-Chloro-3-(cyclopentylamino)naphthalene-1,4-dione is 57097-67-3.
What is the molecular formula of 2-Chloro-3-(cyclopentylamino)naphthalene-1,4-dione?
The molecular formula of 2-Chloro-3-(cyclopentylamino)naphthalene-1,4-dione is C15H14ClNO2.
What is the molecular weight of 2-Chloro-3-(cyclopentylamino)naphthalene-1,4-dione?
The molecular weight of 2-Chloro-3-(cyclopentylamino)naphthalene-1,4-dione is 275.07 g/mol.
Where can I buy 2-Chloro-3-(cyclopentylamino)naphthalene-1,4-dione?
You can request a quote for 2-Chloro-3-(cyclopentylamino)naphthalene-1,4-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Chloro-3-(cyclopentylamino)naphthalene-1,4-dione?
Yes, KEHONG BIO provides custom synthesis services for 2-Chloro-3-(cyclopentylamino)naphthalene-1,4-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.