RefChem:381220
TL;DR: RefChem:381220 (CAS 52419-76-8) is a chemical compound with molecular formula C28H35N3O9S and molecular weight 589.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1'-butyl-3-naphthalen-2-ylspiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol;oxalic acid
Also Known As: Spiro(piperidine-4,6'(7'H)-(5H)thiazolo(3,2-a)pyrimidine), 1-butyl-3'-(2-naphthalenyl)-, ethanedioate (1:2), 1'-butyl-3-naphthalen-2-ylspiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol; oxalic acid, Oxalic acid--1-butyl-3'-(naphthalen-2-yl)-2',3'-dihydro-5'H,7'H-spiro[piperidine-4,6'-[1,3]thiazolo[3,2-a]pyrimidin]-3'-ol (2/1), RefChem:381220
| Molecular Formula | C28H35N3O9S |
|---|---|
| Molecular Weight | 589.21 g/mol |
| LogP | 2.5968 |
| Topological Polar Surface Area | 188.27 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 4 |
| Exact Mass | 589.2094 |
| Heavy Atoms | 41 |
| Complexity | 1261.7074 |
Chemical Identifiers
| CAS Number | 52419-76-8 |
|---|---|
| SMILES | CCCCN1CCC2(CC1)CN=C3N(C2)C(CS3)(C4=CC5=CC=CC=C5C=C4)O.C(=O)(C(=O)O)O.C(=O)(C(=O)O)O |
Product Overview
RefChem:381220 (CAS 52419-76-8), with molecular formula C28H35N3O9S and molecular weight 589.21 g/mol. IUPAC: 1'-butyl-3-naphthalen-2-ylspiro[5,7-dihydro-2H-[1,3]thiazolo[3,2-a]pyrimidine-6,4'-piperidine]-3-ol;oxalic acid.
Chemical Property Profile of RefChem:381220
Property Insights of RefChem:381220
The XLogP value of 2.5968 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:381220. The TPSA of 188.27 Ų indicates high polarity, suggesting RefChem:381220 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:381220 has 5 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:381220?
The CAS number of RefChem:381220 is 52419-76-8.
What is the molecular formula of RefChem:381220?
The molecular formula of RefChem:381220 is C28H35N3O9S.
What is the molecular weight of RefChem:381220?
The molecular weight of RefChem:381220 is 589.21 g/mol.
Where can I buy RefChem:381220?
You can request a quote for RefChem:381220 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:381220?
Yes, KEHONG BIO provides custom synthesis services for RefChem:381220 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.