Hydrocoumarin, 6-acetamido-3-(1-pyrrolidinylcarbonyl)-
TL;DR: Hydrocoumarin, 6-acetamido-3-(1-pyrrolidinylcarbonyl)- (CAS 20852-40-8) is a chemical compound with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[2-oxo-3-(pyrrolidine-1-carbonyl)-3,4-dihydrochromen-6-yl]acetamide
Also Known As: 2-vinylnaphthalene oxide, hydrocoumarin,6-acetamido-3-, Hydrocoumarin,6-acetamido-3- -, 6-Acetamido-3-(1-pyrrolidinylcarbonyl)hydrocoumarin, Hydrocoumarin, 6-acetamido-3-(1-pyrrolidinylcarbonyl)-
| Molecular Formula | C16H18N2O4 |
|---|---|
| Molecular Weight | 302.13 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 75.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 302.12665 |
| Heavy Atoms | 22 |
| Complexity | 473.0 |
Chemical Identifiers
| CAS Number | 20852-40-8 |
|---|---|
| SMILES | CC(=O)NC1=CC2=C(C=C1)OC(=O)C(C2)C(=O)N3CCCC3 |
| InChIKey | TULNRFGKUDQRHW-UHFFFAOYSA-N |
Product Overview
Hydrocoumarin, 6-acetamido-3-(1-pyrrolidinylcarbonyl)- (CAS 20852-40-8), with molecular formula C16H18N2O4 and molecular weight 302.13 g/mol. IUPAC: N-[2-oxo-3-(pyrrolidine-1-carbonyl)-3,4-dihydrochromen-6-yl]acetamide.
Chemical Property Profile of Hydrocoumarin, 6-acetamido-3-(1-pyrrolidinylcarbonyl)-
Property Insights of Hydrocoumarin, 6-acetamido-3-(1-pyrrolidinylcarbonyl)-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydrocoumarin, 6-acetamido-3-(1-pyrrolidinylcarbonyl)-. The TPSA of 75.7 Ų falls within the moderate polarity range, balancing permeability and solubility for Hydrocoumarin, 6-acetamido-3-(1-pyrrolidinylcarbonyl)-. Following Lipinski's Rule of Five, Hydrocoumarin, 6-acetamido-3-(1-pyrrolidinylcarbonyl)- 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 Hydrocoumarin, 6-acetamido-3-(1-pyrrolidinylcarbonyl)-?
The CAS number of Hydrocoumarin, 6-acetamido-3-(1-pyrrolidinylcarbonyl)- is 20852-40-8.
What is the molecular formula of Hydrocoumarin, 6-acetamido-3-(1-pyrrolidinylcarbonyl)-?
The molecular formula of Hydrocoumarin, 6-acetamido-3-(1-pyrrolidinylcarbonyl)- is C16H18N2O4.
What is the molecular weight of Hydrocoumarin, 6-acetamido-3-(1-pyrrolidinylcarbonyl)-?
The molecular weight of Hydrocoumarin, 6-acetamido-3-(1-pyrrolidinylcarbonyl)- is 302.13 g/mol.
Where can I buy Hydrocoumarin, 6-acetamido-3-(1-pyrrolidinylcarbonyl)-?
You can request a quote for Hydrocoumarin, 6-acetamido-3-(1-pyrrolidinylcarbonyl)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Hydrocoumarin, 6-acetamido-3-(1-pyrrolidinylcarbonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Hydrocoumarin, 6-acetamido-3-(1-pyrrolidinylcarbonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.