Hydrocoumarin, 3-(1-pyrrolidinylcarbonyl)-
TL;DR: Hydrocoumarin, 3-(1-pyrrolidinylcarbonyl)- (CAS 18186-69-1) is a chemical compound with molecular formula C14H15NO3 and molecular weight 245.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(pyrrolidine-1-carbonyl)-3,4-dihydrochromen-2-one
Also Known As: 3-(1-Pyrrolidinylcarbonyl)hydrocoumarin, Hydrocoumarin, 3-(1-pyrrolidinylcarbonyl)-, 3-(pyrrolidine-1-carbonyl)-3,4-dihydrochromen-2-one, 3-(Pyrrolidine-1-carbonyl)-3,4-dihydro-2H-1-benzopyran-2-one, 3-(1-Pyrrolidinylcarbonyl)-3,4-dihydro-2H-1-benzopyran-2-one
| Molecular Formula | C14H15NO3 |
|---|---|
| Molecular Weight | 245.11 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 46.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 245.1052 |
| Heavy Atoms | 18 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 18186-69-1 |
|---|---|
| SMILES | C1CCN(C1)C(=O)C2CC3=CC=CC=C3OC2=O |
| InChIKey | YKSWANWZIBMPIT-UHFFFAOYSA-N |
Product Overview
Hydrocoumarin, 3-(1-pyrrolidinylcarbonyl)- (CAS 18186-69-1), with molecular formula C14H15NO3 and molecular weight 245.11 g/mol. IUPAC: 3-(pyrrolidine-1-carbonyl)-3,4-dihydrochromen-2-one.
Chemical Property Profile of Hydrocoumarin, 3-(1-pyrrolidinylcarbonyl)-
Property Insights of Hydrocoumarin, 3-(1-pyrrolidinylcarbonyl)-
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Hydrocoumarin, 3-(1-pyrrolidinylcarbonyl)-. With a topological polar surface area (TPSA) of 46.6 Ų, Hydrocoumarin, 3-(1-pyrrolidinylcarbonyl)- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Hydrocoumarin, 3-(1-pyrrolidinylcarbonyl)- 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 Hydrocoumarin, 3-(1-pyrrolidinylcarbonyl)-?
The CAS number of Hydrocoumarin, 3-(1-pyrrolidinylcarbonyl)- is 18186-69-1.
What is the molecular formula of Hydrocoumarin, 3-(1-pyrrolidinylcarbonyl)-?
The molecular formula of Hydrocoumarin, 3-(1-pyrrolidinylcarbonyl)- is C14H15NO3.
What is the molecular weight of Hydrocoumarin, 3-(1-pyrrolidinylcarbonyl)-?
The molecular weight of Hydrocoumarin, 3-(1-pyrrolidinylcarbonyl)- is 245.11 g/mol.
Where can I buy Hydrocoumarin, 3-(1-pyrrolidinylcarbonyl)-?
You can request a quote for Hydrocoumarin, 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, 3-(1-pyrrolidinylcarbonyl)-?
Yes, KEHONG BIO provides custom synthesis services for Hydrocoumarin, 3-(1-pyrrolidinylcarbonyl)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.