Coumarin, 3-amino-4-(1-pyrrolidinyl)-
TL;DR: Coumarin, 3-amino-4-(1-pyrrolidinyl)- (CAS 59288-15-2) is a chemical compound with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-amino-4-pyrrolidin-1-ylchromen-2-one
Also Known As: 3-Amino-4-(1-pyrrolidinyl)coumarin, 3-amino-4-pyrrolidin-1-ylchromen-2-one, 3-amino-4-pyrrolidino-coumarin, 3-Amino-4-(pyrrolidin-1-yl)-2H-chromen-2-one, COUMARIN, 3-AMINO-4-(1-PYRROLIDINYL)-
| Molecular Formula | C13H14N2O2 |
|---|---|
| Molecular Weight | 230.11 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 55.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 230.10553 |
| Heavy Atoms | 17 |
| Complexity | 358.0 |
Chemical Identifiers
| CAS Number | 59288-15-2 |
|---|---|
| SMILES | C1CCN(C1)C2=C(C(=O)OC3=CC=CC=C32)N |
| InChIKey | KUMMFXRVHNGDJZ-UHFFFAOYSA-N |
Product Overview
Coumarin, 3-amino-4-(1-pyrrolidinyl)- (CAS 59288-15-2), with molecular formula C13H14N2O2 and molecular weight 230.11 g/mol. IUPAC: 3-amino-4-pyrrolidin-1-ylchromen-2-one.
Chemical Property Profile of Coumarin, 3-amino-4-(1-pyrrolidinyl)-
Property Insights of Coumarin, 3-amino-4-(1-pyrrolidinyl)-
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Coumarin, 3-amino-4-(1-pyrrolidinyl)-. With a topological polar surface area (TPSA) of 55.6 Ų, Coumarin, 3-amino-4-(1-pyrrolidinyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Coumarin, 3-amino-4-(1-pyrrolidinyl)- has 1 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 Coumarin, 3-amino-4-(1-pyrrolidinyl)-?
The CAS number of Coumarin, 3-amino-4-(1-pyrrolidinyl)- is 59288-15-2.
What is the molecular formula of Coumarin, 3-amino-4-(1-pyrrolidinyl)-?
The molecular formula of Coumarin, 3-amino-4-(1-pyrrolidinyl)- is C13H14N2O2.
What is the molecular weight of Coumarin, 3-amino-4-(1-pyrrolidinyl)-?
The molecular weight of Coumarin, 3-amino-4-(1-pyrrolidinyl)- is 230.11 g/mol.
Where can I buy Coumarin, 3-amino-4-(1-pyrrolidinyl)-?
You can request a quote for Coumarin, 3-amino-4-(1-pyrrolidinyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Coumarin, 3-amino-4-(1-pyrrolidinyl)-?
Yes, KEHONG BIO provides custom synthesis services for Coumarin, 3-amino-4-(1-pyrrolidinyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.