RefChem:261318
TL;DR: RefChem:261318 (CAS 15272-28-3) is a chemical compound with molecular formula C27H37NO5S and molecular weight 487.23926 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-hydroxy-2-oxoacetate;2-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]piperidin-1-ium
Also Known As: 2-Furanpropanethiol, tetrahydro-beta-(1-naphthylmethyl)-S-(2-piperidinoethyl)-, oxalate, 1-Naphthalenepropanethiol, S-(2-piperidinoethyl)-beta-(tetrahydrofurfuryl)-, oxalate, 2-hydroxy-2-oxoacetate; 2-[2-[2-(naphthalen-1-ylmethyl)-3-(oxolan-2-yl)propyl]sulfanylethyl]piperidin-1-ium, Piperidine, 1-[2-[[2-(1-naphthylmethyl)-3-(tetrahydro-2-furyl)propyl]thio]ethyl]-, oxalate (1:1)
Technical Specifications
| Molecular Formula | C27H37NO5S |
| Molecular Weight | 487.23926 g/mol |
| XLogP | 2.63 |
| Topological Polar Surface Area (TPSA) | 129.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 487.23926 Da |
| Heavy Atoms | 34 |
| Complexity | 522.0 |
| SMILES | C1CC[NH2+]C(C1)CCSCC(CC2CCCO2)CC3=CC=CC4=CC=CC=C43.C(=O)(C(=O)[O-])O |
| InChIKey | PCMQZBHZZIADHZ-UHFFFAOYSA-N |
Chemical Property Profile of RefChem:261318
Property Insights of RefChem:261318
The XLogP value of 2.63 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:261318. The TPSA of 129.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:261318. Following Lipinski's Rule of Five, RefChem:261318 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of RefChem:261318?
The CAS number of RefChem:261318 is 15272-28-3.
What is the molecular formula of RefChem:261318?
The molecular formula of RefChem:261318 is C27H37NO5S.
What is the molecular weight of RefChem:261318?
The molecular weight of RefChem:261318 is 487.23926 g/mol.
Where can I buy RefChem:261318?
You can request a quote for RefChem:261318 directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for RefChem:261318?
Yes, CoreyChem provides custom synthesis services for RefChem:261318 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.