4-Chloro-3-(piperidin-1-ylmethyl)chromen-2-one
TL;DR: 4-Chloro-3-(piperidin-1-ylmethyl)chromen-2-one (CAS 83231-81-6) is a chemical compound with molecular formula C15H16ClNO2 and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-chloro-3-(piperidin-1-ylmethyl)chromen-2-one
Also Known As: BAS 01256129, 4-chloro-3-(piperidinomethyl)coumarin, 4-chloro-3-(piperidylmethyl)chromen-2-one, 4-chloro-3-(piperidin-1-ylmethyl)chromen-2-one, 4-Chloro-3-piperidin-1-ylmethyl-chromen-2-one
| Molecular Formula | C15H16ClNO2 |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 277.08694 |
| Heavy Atoms | 19 |
| Complexity | 388.0 |
Chemical Identifiers
| CAS Number | 83231-81-6 |
|---|---|
| SMILES | C1CCN(CC1)CC2=C(C3=CC=CC=C3OC2=O)Cl |
| InChIKey | LMMGOENYJITZTD-UHFFFAOYSA-N |
Product Overview
4-Chloro-3-(piperidin-1-ylmethyl)chromen-2-one (CAS 83231-81-6), with molecular formula C15H16ClNO2 and molecular weight 277.09 g/mol. IUPAC: 4-chloro-3-(piperidin-1-ylmethyl)chromen-2-one.
Chemical Property Profile of 4-Chloro-3-(piperidin-1-ylmethyl)chromen-2-one
Property Insights of 4-Chloro-3-(piperidin-1-ylmethyl)chromen-2-one
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Chloro-3-(piperidin-1-ylmethyl)chromen-2-one. With a topological polar surface area (TPSA) of 29.5 Ų, 4-Chloro-3-(piperidin-1-ylmethyl)chromen-2-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-Chloro-3-(piperidin-1-ylmethyl)chromen-2-one 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 4-Chloro-3-(piperidin-1-ylmethyl)chromen-2-one?
The CAS number of 4-Chloro-3-(piperidin-1-ylmethyl)chromen-2-one is 83231-81-6.
What is the molecular formula of 4-Chloro-3-(piperidin-1-ylmethyl)chromen-2-one?
The molecular formula of 4-Chloro-3-(piperidin-1-ylmethyl)chromen-2-one is C15H16ClNO2.
What is the molecular weight of 4-Chloro-3-(piperidin-1-ylmethyl)chromen-2-one?
The molecular weight of 4-Chloro-3-(piperidin-1-ylmethyl)chromen-2-one is 277.09 g/mol.
Where can I buy 4-Chloro-3-(piperidin-1-ylmethyl)chromen-2-one?
You can request a quote for 4-Chloro-3-(piperidin-1-ylmethyl)chromen-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Chloro-3-(piperidin-1-ylmethyl)chromen-2-one?
Yes, KEHONG BIO provides custom synthesis services for 4-Chloro-3-(piperidin-1-ylmethyl)chromen-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.