RefChem:1053752
TL;DR: RefChem:1053752 (CAS 67227-22-9) is a chemical compound with molecular formula C23H28ClNO2 and molecular weight 385.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(1-methylpiperidin-1-ium-2-yl)propan-2-yl 9H-fluorene-9-carboxylate chloride
Also Known As: Fluorene-9-carboxylic acid, 1-methyl-2-(1-methyl-2-piperidyl)ethyl ester, hydrochloride, 1-(1-Methylpiperidin-1-ium-2-yl)propan-2-yl 9h-fluorene-9-carboxylatechloride, 1-(1-methylpiperidin-1-ium-2-yl)propan-2-yl 9H-fluorene-9-carboxylate chloride, 1-(1-Methylpiperidin-2-yl)propan-2-yl 9H-fluorene-9-carboxylate--hydrogen chloride (1/1), FLUORENE-9-CARBOXYLIC ACID, 1-METHYL-2-(1-METHYL-2-PIPERIDYL)ETHYL ESTER, HYDROC
| Molecular Formula | C23H28ClNO2 |
|---|---|
| Molecular Weight | 385.18 g/mol |
| LogP | 0.19 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 385.18085 |
| Heavy Atoms | 27 |
| Complexity | 471.0 |
Chemical Identifiers
| CAS Number | 67227-22-9 |
|---|---|
| SMILES | CC(CC1CCCC[NH+]1C)OC(=O)C2C3=CC=CC=C3C4=CC=CC=C24.[Cl-] |
| InChIKey | BAVLLEOJRMGVJX-UHFFFAOYSA-N |
Product Overview
RefChem:1053752 (CAS 67227-22-9), with molecular formula C23H28ClNO2 and molecular weight 385.18 g/mol. IUPAC: 1-(1-methylpiperidin-1-ium-2-yl)propan-2-yl 9H-fluorene-9-carboxylate chloride.
Chemical Property Profile of RefChem:1053752
Property Insights of RefChem:1053752
The XLogP value of 0.19 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1053752. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:1053752 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1053752 has 1 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 RefChem:1053752?
The CAS number of RefChem:1053752 is 67227-22-9.
What is the molecular formula of RefChem:1053752?
The molecular formula of RefChem:1053752 is C23H28ClNO2.
What is the molecular weight of RefChem:1053752?
The molecular weight of RefChem:1053752 is 385.18 g/mol.
Where can I buy RefChem:1053752?
You can request a quote for RefChem:1053752 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1053752?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1053752 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.