6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one
TL;DR: 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one (CAS 87669-67-8) is a chemical compound with molecular formula C16H19Cl2NO2 and molecular weight 327.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one
Also Known As: 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one, 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-, 6,8-Dichloro-3-methyl-3-[(piperidin-1-yl)methyl]-2,3-dihydro-4H-1-benzopyran-4-one, RefChem:306311
| Molecular Formula | C16H19Cl2NO2 |
|---|---|
| Molecular Weight | 327.08 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 327.07928 |
| Heavy Atoms | 21 |
| Complexity | 400.0 |
Chemical Identifiers
| CAS Number | 87669-67-8 |
|---|---|
| SMILES | CC1(COC2=C(C1=O)C=C(C=C2Cl)Cl)CN3CCCCC3 |
| InChIKey | YGBVBZDKRPFWNT-UHFFFAOYSA-N |
Product Overview
6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one (CAS 87669-67-8), with molecular formula C16H19Cl2NO2 and molecular weight 327.08 g/mol. IUPAC: 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one.
Chemical Property Profile of 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one
Property Insights of 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one
The XLogP value of 3.9 indicates that 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.5 Ų, 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-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 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one?
The CAS number of 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one is 87669-67-8.
What is the molecular formula of 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one?
The molecular formula of 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one is C16H19Cl2NO2.
What is the molecular weight of 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one?
The molecular weight of 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one is 327.08 g/mol.
Where can I buy 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one?
You can request a quote for 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one?
Yes, KEHONG BIO provides custom synthesis services for 6,8-dichloro-3-methyl-3-(piperidin-1-ylmethyl)-2H-chromen-4-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.