RefChem:211512
TL;DR: RefChem:211512 (CAS 94381-98-3) is a chemical compound with molecular formula C19H28ClNO and molecular weight 321.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,6,7-trimethyl-2-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one chloride
Also Known As: N-695, 1(2H)-Naphthalenone, 3,4-dihydro-4,6,7-trimethyl-2-(piperidinomethyl)-, hydrochloride, 3,4-Dihydro-4,6,7-trimethyl-2-(piperidinomethyl)-1(2H)-naphthalenone hydrochloride, 4,6,7-trimethyl-2-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one chloride
| Molecular Formula | C19H28ClNO |
|---|---|
| Molecular Weight | 321.19 g/mol |
| LogP | -0.32 |
| Topological Polar Surface Area | 21.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 321.18594 |
| Heavy Atoms | 22 |
| Complexity | 374.0 |
Chemical Identifiers
| CAS Number | 94381-98-3 |
|---|---|
| SMILES | CC1CC(C(=O)C2=C1C=C(C(=C2)C)C)C[NH+]3CCCCC3.[Cl-] |
| InChIKey | QEPWEYNBEWQVHW-UHFFFAOYSA-N |
Product Overview
RefChem:211512 (CAS 94381-98-3), with molecular formula C19H28ClNO and molecular weight 321.19 g/mol. IUPAC: 4,6,7-trimethyl-2-(piperidin-1-ium-1-ylmethyl)-3,4-dihydro-2H-naphthalen-1-one chloride.
Chemical Property Profile of RefChem:211512
Property Insights of RefChem:211512
The XLogP value of -0.32 indicates that RefChem:211512 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 21.5 Ų, RefChem:211512 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:211512 has 1 hydrogen bond donor(s) and 2 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 RefChem:211512?
The CAS number of RefChem:211512 is 94381-98-3.
What is the molecular formula of RefChem:211512?
The molecular formula of RefChem:211512 is C19H28ClNO.
What is the molecular weight of RefChem:211512?
The molecular weight of RefChem:211512 is 321.19 g/mol.
Where can I buy RefChem:211512?
You can request a quote for RefChem:211512 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:211512?
Yes, KEHONG BIO provides custom synthesis services for RefChem:211512 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.