3-Amino-4-benzylaminocoumarin
TL;DR: 3-Amino-4-benzylaminocoumarin (CAS 59288-12-9) is a chemical compound with molecular formula C16H14N2O2 and molecular weight 266.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-(benzylamino)chromen-2-one
Also Known As: 3-Amino-4-benzylaminocoumarin, 3-amino-4-(benzylamino)-2H-chromen-2-one, 3-amino-4-(benzylamino)chromen-2-one, COUMARIN, 3-AMINO-4-BENZYLAMINO-, 3-Amino-4-benzylamino-chromen-2-one
| Molecular Formula | C16H14N2O2 |
|---|---|
| Molecular Weight | 266.11 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 64.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 266.10553 |
| Heavy Atoms | 20 |
| Complexity | 399.0 |
Chemical Identifiers
| CAS Number | 59288-12-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)CNC2=C(C(=O)OC3=CC=CC=C32)N |
| InChIKey | RPFFYWMEJGBBDE-UHFFFAOYSA-N |
Product Overview
3-Amino-4-benzylaminocoumarin (CAS 59288-12-9), with molecular formula C16H14N2O2 and molecular weight 266.11 g/mol. IUPAC: 3-amino-4-(benzylamino)chromen-2-one.
Chemical Property Profile of 3-Amino-4-benzylaminocoumarin
Property Insights of 3-Amino-4-benzylaminocoumarin
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Amino-4-benzylaminocoumarin. The TPSA of 64.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Amino-4-benzylaminocoumarin. Following Lipinski's Rule of Five, 3-Amino-4-benzylaminocoumarin 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 3-Amino-4-benzylaminocoumarin?
The CAS number of 3-Amino-4-benzylaminocoumarin is 59288-12-9.
What is the molecular formula of 3-Amino-4-benzylaminocoumarin?
The molecular formula of 3-Amino-4-benzylaminocoumarin is C16H14N2O2.
What is the molecular weight of 3-Amino-4-benzylaminocoumarin?
The molecular weight of 3-Amino-4-benzylaminocoumarin is 266.11 g/mol.
Where can I buy 3-Amino-4-benzylaminocoumarin?
You can request a quote for 3-Amino-4-benzylaminocoumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Amino-4-benzylaminocoumarin?
Yes, KEHONG BIO provides custom synthesis services for 3-Amino-4-benzylaminocoumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.