5-(7-氯喹啉-4-基氨基)-2-二乙氨甲基苯酚
TL;DR: 5-(7-氯喹啉-4-基氨基)-2-二乙氨甲基苯酚 (CAS 1643-45-4) is a chemical compound with molecular formula C20H22ClN3O and molecular weight 355.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-(7-氯喹啉-4-基氨基)-2-二乙氨甲基苯酚
5-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol
Also Known As: ISOQUINE, ISQ1 cpd, Spectrum2_000768, Spectrum3_000299, Spectrum4_000147
| Molecular Formula | C20H22ClN3O |
|---|---|
| Molecular Weight | 355.15 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 48.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 355.14514 |
| Heavy Atoms | 25 |
| Complexity | 406.0 |
Chemical Identifiers
| CAS Number | 1643-45-4 |
|---|---|
| SMILES | CCN(CC)CC1=C(C=C(C=C1)NC2=C3C=CC(=CC3=NC=C2)Cl)O |
| InChIKey | QGFYFOHMBDMGBZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-(7-氯喹啉-4-基氨基)-2-二乙氨甲基苯酚 (CAS 1643-45-4), with molecular formula C20H22ClN3O and molecular weight 355.15 g/mol. IUPAC: 5-[(7-chloroquinolin-4-yl)amino]-2-(diethylaminomethyl)phenol.
Chemical Property Profile of 5-(7-氯喹啉-4-基氨基)-2-二乙氨甲基苯酚
Property Insights of 5-(7-氯喹啉-4-基氨基)-2-二乙氨甲基苯酚
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-(7-氯喹啉-4-基氨基)-2-二乙氨甲基苯酚. With a topological polar surface area (TPSA) of 48.4 Ų, 5-(7-氯喹啉-4-基氨基)-2-二乙氨甲基苯酚 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-(7-氯喹啉-4-基氨基)-2-二乙氨甲基苯酚 has 2 hydrogen bond donor(s) and 4 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 5-(7-氯喹啉-4-基氨基)-2-二乙氨甲基苯酚?
The CAS number of 5-(7-氯喹啉-4-基氨基)-2-二乙氨甲基苯酚 is 1643-45-4.
What is the molecular formula of 5-(7-氯喹啉-4-基氨基)-2-二乙氨甲基苯酚?
The molecular formula of 5-(7-氯喹啉-4-基氨基)-2-二乙氨甲基苯酚 is C20H22ClN3O.
What is the molecular weight of 5-(7-氯喹啉-4-基氨基)-2-二乙氨甲基苯酚?
The molecular weight of 5-(7-氯喹啉-4-基氨基)-2-二乙氨甲基苯酚 is 355.15 g/mol.
Where can I buy 5-(7-氯喹啉-4-基氨基)-2-二乙氨甲基苯酚?
You can request a quote for 5-(7-氯喹啉-4-基氨基)-2-二乙氨甲基苯酚 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-(7-氯喹啉-4-基氨基)-2-二乙氨甲基苯酚?
Yes, KEHONG BIO provides custom synthesis services for 5-(7-氯喹啉-4-基氨基)-2-二乙氨甲基苯酚 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.