7-Amino-4-chloromethylcoumarin
TL;DR: 7-Amino-4-chloromethylcoumarin (CAS 147963-22-2) is a chemical compound with molecular formula C10H8ClNO2 and molecular weight 209.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-amino-4-(chloromethyl)chromen-2-one
Also Known As: 7-amino-4-chloromethylcoumarin, CellTracker Blue CMAC, CMAC cpd, 7-amino-4-(chloromethyl)-2H-chromen-2-one, Blue CMAC
| Molecular Formula | C10H8ClNO2 |
|---|---|
| Molecular Weight | 209.02 g/mol |
| LogP | 2.114 |
| Topological Polar Surface Area | 56.23 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 209.02435 |
| Heavy Atoms | 14 |
| Complexity | 533.1233 |
Chemical Identifiers
| CAS Number | 147963-22-2 |
|---|---|
| SMILES | C1=CC2=C(C=C1N)OC(=O)C=C2CCl |
Product Overview
7-Amino-4-chloromethylcoumarin (CAS 147963-22-2), with molecular formula C10H8ClNO2 and molecular weight 209.02 g/mol. IUPAC: 7-amino-4-(chloromethyl)chromen-2-one.
Chemical Property Profile of 7-Amino-4-chloromethylcoumarin
Property Insights of 7-Amino-4-chloromethylcoumarin
The XLogP value of 2.114 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7-Amino-4-chloromethylcoumarin. With a topological polar surface area (TPSA) of 56.23 Ų, 7-Amino-4-chloromethylcoumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 7-Amino-4-chloromethylcoumarin 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 7-Amino-4-chloromethylcoumarin?
The CAS number of 7-Amino-4-chloromethylcoumarin is 147963-22-2.
What is the molecular formula of 7-Amino-4-chloromethylcoumarin?
The molecular formula of 7-Amino-4-chloromethylcoumarin is C10H8ClNO2.
What is the molecular weight of 7-Amino-4-chloromethylcoumarin?
The molecular weight of 7-Amino-4-chloromethylcoumarin is 209.02 g/mol.
Where can I buy 7-Amino-4-chloromethylcoumarin?
You can request a quote for 7-Amino-4-chloromethylcoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7-Amino-4-chloromethylcoumarin?
Yes, KEHONG BIO provides custom synthesis services for 7-Amino-4-chloromethylcoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.