RefChem:1066400
TL;DR: RefChem:1066400 (CAS 67227-25-2) 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.
3-(1-methylpiperidin-1-ium-4-yl)propyl 9H-fluorene-9-carboxylate chloride
Also Known As: FLUORENE-9-CARBOXYLIC ACID, 3-(1-METHYL-4-PIPERIDYL)PROPYL ESTER, HYDROCHLORIDE, 3-(1-methylpiperidin-1-ium-4-yl)propyl 9H-fluorene-9-carboxylate chloride, 3-(1-Methylpiperidin-4-yl)propyl 9H-fluorene-9-carboxylate--hydrogen chloride (1/1), 9H-Fluorene-9-carboxylic acid, 3-(1-methyl-4-piperidinyl)propyl ester, hydrochloride, RefChem:1066400
| Molecular Formula | C23H28ClNO2 |
|---|---|
| Molecular Weight | 385.18 g/mol |
| LogP | 0.05 |
| Topological Polar Surface Area | 30.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 385.18085 |
| Heavy Atoms | 27 |
| Complexity | 449.0 |
Chemical Identifiers
| CAS Number | 67227-25-2 |
|---|---|
| SMILES | C[NH+]1CCC(CC1)CCCOC(=O)C2C3=CC=CC=C3C4=CC=CC=C24.[Cl-] |
| InChIKey | ZACUYOUBAOTSFU-UHFFFAOYSA-N |
Product Overview
RefChem:1066400 (CAS 67227-25-2), with molecular formula C23H28ClNO2 and molecular weight 385.18 g/mol. IUPAC: 3-(1-methylpiperidin-1-ium-4-yl)propyl 9H-fluorene-9-carboxylate chloride.
Chemical Property Profile of RefChem:1066400
Property Insights of RefChem:1066400
The XLogP value of 0.05 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1066400. With a topological polar surface area (TPSA) of 30.7 Ų, RefChem:1066400 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1066400 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:1066400?
The CAS number of RefChem:1066400 is 67227-25-2.
What is the molecular formula of RefChem:1066400?
The molecular formula of RefChem:1066400 is C23H28ClNO2.
What is the molecular weight of RefChem:1066400?
The molecular weight of RefChem:1066400 is 385.18 g/mol.
Where can I buy RefChem:1066400?
You can request a quote for RefChem:1066400 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1066400?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1066400 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.