Decasilate
TL;DR: Decasilate (CAS 76652-72-7) is a chemical compound with molecular formula C20H24N2O4S and molecular weight 388.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;thiophene-2-carboxylic acid
Also Known As: Decasilate, 8-(2-Phenylethyl)-1-oxadiazaspiro(4,5)decan-2-one-2-thiophenecarboxylate, 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;thiophene-2-carboxylic acid, 2-Thiophenecarboxylic acid, compd. with 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro(4.5)decan-2-one (1:1), 8-phenethyl-1-oxa-3,8-diazaspiro[4.5]decan-2-one; thiophene-2-carboxylic acid
| Molecular Formula | C20H24N2O4S |
|---|---|
| Molecular Weight | 388.15 g/mol |
| LogP | 3.2498 |
| Topological Polar Surface Area | 78.87 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 388.1457 |
| Heavy Atoms | 27 |
| Complexity | 740.60693 |
Chemical Identifiers
| CAS Number | 76652-72-7 |
|---|---|
| SMILES | C1CN(CCC12CNC(=O)O2)CCC3=CC=CC=C3.C1=CSC(=C1)C(=O)O |
Product Overview
Decasilate (CAS 76652-72-7), with molecular formula C20H24N2O4S and molecular weight 388.15 g/mol. IUPAC: 8-(2-phenylethyl)-1-oxa-3,8-diazaspiro[4.5]decan-2-one;thiophene-2-carboxylic acid.
Chemical Property Profile of Decasilate
Property Insights of Decasilate
The XLogP value of 3.2498 indicates that Decasilate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.87 Ų falls within the moderate polarity range, balancing permeability and solubility for Decasilate. Following Lipinski's Rule of Five, Decasilate has 2 hydrogen bond donor(s) and 5 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 Decasilate?
The CAS number of Decasilate is 76652-72-7.
What is the molecular formula of Decasilate?
The molecular formula of Decasilate is C20H24N2O4S.
What is the molecular weight of Decasilate?
The molecular weight of Decasilate is 388.15 g/mol.
Where can I buy Decasilate?
You can request a quote for Decasilate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Decasilate?
Yes, KEHONG BIO provides custom synthesis services for Decasilate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.