RefChem:261321
TL;DR: RefChem:261321 (CAS 15224-80-3) is a chemical compound with molecular formula C23H31NO5S and molecular weight 433.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl-[2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethyl]azanium;2-hydroxy-2-oxoacetate
Also Known As: 2-Furanpropanethiol, tetrahydro-S-(2-dimethylaminoethyl)-beta-(1-naphthyl)-, oxalate, 1-Naphthaleneethanethiol, S-(2-dimethylaminoethyl)-beta-(tetrahydrofurfuryl)-, oxalate, S-(2-Dimethylaminoethyl)-beta-(tetrahydrofurfuryl)-1-naphthaleneethanethiol oxalate, dimethyl-[2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethyl]azanium; 2-hydroxy-2-oxoacetate, Ethylamine, N,N-dimethyl-2-[[2-(1-naphthyl)-3-(tetrahydro-2-furyl)propyl]thio]-, oxalate (1:1)
| Molecular Formula | C23H31NO5S |
|---|---|
| Molecular Weight | 433.19 g/mol |
| LogP | 1.19 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 433.1923 |
| Heavy Atoms | 30 |
| Complexity | 440.0 |
Chemical Identifiers
| CAS Number | 15224-80-3 |
|---|---|
| SMILES | C[NH+](C)CCSCC(CC1CCCO1)C2=CC=CC3=CC=CC=C32.C(=O)(C(=O)[O-])O |
| InChIKey | ACNFWMRLRDDRFY-UHFFFAOYSA-N |
Product Overview
RefChem:261321 (CAS 15224-80-3), with molecular formula C23H31NO5S and molecular weight 433.19 g/mol. IUPAC: dimethyl-[2-[2-naphthalen-1-yl-3-(oxolan-2-yl)propyl]sulfanylethyl]azanium;2-hydroxy-2-oxoacetate.
Chemical Property Profile of RefChem:261321
Property Insights of RefChem:261321
The XLogP value of 1.19 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:261321. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:261321. Following Lipinski's Rule of Five, RefChem:261321 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
Frequently Asked Questions
What is the CAS number of RefChem:261321?
The CAS number of RefChem:261321 is 15224-80-3.
What is the molecular formula of RefChem:261321?
The molecular formula of RefChem:261321 is C23H31NO5S.
What is the molecular weight of RefChem:261321?
The molecular weight of RefChem:261321 is 433.19 g/mol.
Where can I buy RefChem:261321?
You can request a quote for RefChem:261321 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:261321?
Yes, KEHONG BIO provides custom synthesis services for RefChem:261321 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.