4-(Benzylamino)-3-(piperidinomethyl)coumarin
TL;DR: 4-(Benzylamino)-3-(piperidinomethyl)coumarin (CAS 83233-99-2) is a chemical compound with molecular formula C22H24N2O2 and molecular weight 348.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(benzylamino)-3-(piperidin-1-ylmethyl)chromen-2-one
Also Known As: BAS 01052373, 4-(Benzylamino)-3-(piperidinomethyl)coumarin, 4-(benzylamino)-3-(piperidin-1-ylmethyl)chromen-2-one, 4-(Benzylamino)-3-(1-piperidinylmethyl)-2H-chromen-2-one, AH-034/11366507
| Molecular Formula | C22H24N2O2 |
|---|---|
| Molecular Weight | 348.18 g/mol |
| LogP | 3.8 |
| Topological Polar Surface Area | 41.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 348.18378 |
| Heavy Atoms | 26 |
| Complexity | 518.0 |
Chemical Identifiers
| CAS Number | 83233-99-2 |
|---|---|
| SMILES | C1CCN(CC1)CC2=C(C3=CC=CC=C3OC2=O)NCC4=CC=CC=C4 |
| InChIKey | IIJZJENXWARXBH-UHFFFAOYSA-N |
Product Overview
4-(Benzylamino)-3-(piperidinomethyl)coumarin (CAS 83233-99-2), with molecular formula C22H24N2O2 and molecular weight 348.18 g/mol. IUPAC: 4-(benzylamino)-3-(piperidin-1-ylmethyl)chromen-2-one.
Chemical Property Profile of 4-(Benzylamino)-3-(piperidinomethyl)coumarin
Property Insights of 4-(Benzylamino)-3-(piperidinomethyl)coumarin
The XLogP value of 3.8 indicates that 4-(Benzylamino)-3-(piperidinomethyl)coumarin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 41.6 Ų, 4-(Benzylamino)-3-(piperidinomethyl)coumarin exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(Benzylamino)-3-(piperidinomethyl)coumarin 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 4-(Benzylamino)-3-(piperidinomethyl)coumarin?
The CAS number of 4-(Benzylamino)-3-(piperidinomethyl)coumarin is 83233-99-2.
What is the molecular formula of 4-(Benzylamino)-3-(piperidinomethyl)coumarin?
The molecular formula of 4-(Benzylamino)-3-(piperidinomethyl)coumarin is C22H24N2O2.
What is the molecular weight of 4-(Benzylamino)-3-(piperidinomethyl)coumarin?
The molecular weight of 4-(Benzylamino)-3-(piperidinomethyl)coumarin is 348.18 g/mol.
Where can I buy 4-(Benzylamino)-3-(piperidinomethyl)coumarin?
You can request a quote for 4-(Benzylamino)-3-(piperidinomethyl)coumarin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Benzylamino)-3-(piperidinomethyl)coumarin?
Yes, KEHONG BIO provides custom synthesis services for 4-(Benzylamino)-3-(piperidinomethyl)coumarin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.