ChemDiv3_002431
TL;DR: ChemDiv3_002431 (CAS 10549-62-9) is a chemical compound with molecular formula C16H19NO3 and molecular weight 273.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one
Also Known As: ChemDiv3_002431, 7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one, BAS 02785573, NCI60_000209, 7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)-2H-chromen-2-one
| Molecular Formula | C16H19NO3 |
|---|---|
| Molecular Weight | 273.14 g/mol |
| LogP | 2.79292 |
| Topological Polar Surface Area | 53.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.1365 |
| Heavy Atoms | 20 |
| Complexity | 683.9169 |
Chemical Identifiers
| CAS Number | 10549-62-9 |
|---|---|
| SMILES | CC1=CC(=O)OC2=C1C=CC(=C2CN3CCCCC3)O |
Product Overview
ChemDiv3_002431 (CAS 10549-62-9), with molecular formula C16H19NO3 and molecular weight 273.14 g/mol. IUPAC: 7-hydroxy-4-methyl-8-(piperidin-1-ylmethyl)chromen-2-one.
Chemical Property Profile of ChemDiv3_002431
Property Insights of ChemDiv3_002431
The XLogP value of 2.79292 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_002431. With a topological polar surface area (TPSA) of 53.68 Ų, ChemDiv3_002431 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv3_002431 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 ChemDiv3_002431?
The CAS number of ChemDiv3_002431 is 10549-62-9.
What is the molecular formula of ChemDiv3_002431?
The molecular formula of ChemDiv3_002431 is C16H19NO3.
What is the molecular weight of ChemDiv3_002431?
The molecular weight of ChemDiv3_002431 is 273.14 g/mol.
Where can I buy ChemDiv3_002431?
You can request a quote for ChemDiv3_002431 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_002431?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_002431 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.