RefChem:261332
TL;DR: RefChem:261332 (CAS 3209-95-8) is a chemical compound with molecular formula C27H35NO7 and molecular weight 485.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-hydroxy-2-oxoacetate;2-piperidin-1-ium-1-ylethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate
Also Known As: alpha-(1-Naphthylmethyl)tetrahydro-2-furanpropionic acid 2-piperidinoethyl ester oxalate, 2-Furanpropionic acid, tetrahydro-alpha-(1-naphthylmethyl)-, 2-piperidinoethyl ester, oxalate (1:1), 2-hydroxy-2-oxoacetate; 2-piperidin-1-ium-1-ylethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate, RefChem:261332
| Molecular Formula | C27H35NO7 |
|---|---|
| Molecular Weight | 485.24 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 117.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 9 |
| Exact Mass | 485.24136 |
| Heavy Atoms | 35 |
| Complexity | 582.0 |
Chemical Identifiers
| CAS Number | 3209-95-8 |
|---|---|
| SMILES | C1CC[NH+](CC1)CCOC(=O)C(CC2CCCO2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)[O-])O |
| InChIKey | QUJSVBSYVNCXBP-UHFFFAOYSA-N |
Product Overview
RefChem:261332 (CAS 3209-95-8), with molecular formula C27H35NO7 and molecular weight 485.24 g/mol. IUPAC: 2-hydroxy-2-oxoacetate;2-piperidin-1-ium-1-ylethyl 2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propanoate.
Chemical Property Profile of RefChem:261332
Property Insights of RefChem:261332
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:261332. The TPSA of 117.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:261332. Following Lipinski's Rule of Five, RefChem:261332 has 2 hydrogen bond donor(s) and 7 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:261332?
The CAS number of RefChem:261332 is 3209-95-8.
What is the molecular formula of RefChem:261332?
The molecular formula of RefChem:261332 is C27H35NO7.
What is the molecular weight of RefChem:261332?
The molecular weight of RefChem:261332 is 485.24 g/mol.
Where can I buy RefChem:261332?
You can request a quote for RefChem:261332 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:261332?
Yes, KEHONG BIO provides custom synthesis services for RefChem:261332 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.