Coumarin, 4-chloro-7-diethylamino-
TL;DR: Coumarin, 4-chloro-7-diethylamino- (CAS 131447-40-0) is a chemical compound with molecular formula C13H14ClNO2 and molecular weight 251.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-7-(diethylamino)chromen-2-one
Also Known As: Coumarin, 4-chloro-7-diethylamino-, 4-chloro-7-(diethylamino)chromen-2-one, 4-Chloro-7-diethylaminocoumarin, 4-Chloro-7-diethylamino-chromen-2-one, 2H-1-Benzopyran-2-one,4-chloro-7-(diethylamino)-
| Molecular Formula | C13H14ClNO2 |
|---|---|
| Molecular Weight | 251.07 g/mol |
| LogP | 3.1 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 251.0713 |
| Heavy Atoms | 17 |
| Complexity | 325.0 |
Chemical Identifiers
| CAS Number | 131447-40-0 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C(=CC(=O)O2)Cl |
| InChIKey | RNVTULXTDSCADN-UHFFFAOYSA-N |
Product Overview
Coumarin, 4-chloro-7-diethylamino- (CAS 131447-40-0), with molecular formula C13H14ClNO2 and molecular weight 251.07 g/mol. IUPAC: 4-chloro-7-(diethylamino)chromen-2-one.
Chemical Property Profile of Coumarin, 4-chloro-7-diethylamino-
Property Insights of Coumarin, 4-chloro-7-diethylamino-
The XLogP value of 3.1 indicates that Coumarin, 4-chloro-7-diethylamino- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, Coumarin, 4-chloro-7-diethylamino- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin, 4-chloro-7-diethylamino- has 0 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 Coumarin, 4-chloro-7-diethylamino-?
The CAS number of Coumarin, 4-chloro-7-diethylamino- is 131447-40-0.
What is the molecular formula of Coumarin, 4-chloro-7-diethylamino-?
The molecular formula of Coumarin, 4-chloro-7-diethylamino- is C13H14ClNO2.
What is the molecular weight of Coumarin, 4-chloro-7-diethylamino-?
The molecular weight of Coumarin, 4-chloro-7-diethylamino- is 251.07 g/mol.
Where can I buy Coumarin, 4-chloro-7-diethylamino-?
You can request a quote for Coumarin, 4-chloro-7-diethylamino- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 4-chloro-7-diethylamino-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 4-chloro-7-diethylamino- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.