RefChem:1052646
TL;DR: RefChem:1052646 (CAS 54776-68-0) is a chemical compound with molecular formula C28H34N4O7S and molecular weight 570.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;N,N-dimethyl-4-oxo-8-(4-oxo-4-thiophen-2-ylbutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide
Also Known As: 1,3,8-Triazaspiro(4,5)decane-3-carboxamide, N,N-dimethyl-4-oxo-1-phenyl-8-(3-(2-thenoyl)propyl)-, fumarate, (E)-but-2-enedioic acid; N,N-dimethyl-1-oxo-8-(4-oxo-4-thiophen-2-ylbutyl)-4-phenyl-2,4,8-triazaspiro[4.5]decane-2-carboxamide, RefChem:1052646
| Molecular Formula | C28H34N4O7S |
|---|---|
| Molecular Weight | 570.21 g/mol |
| LogP | 3.2453 |
| Topological Polar Surface Area | 138.77 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 570.21484 |
| Heavy Atoms | 40 |
| Complexity | 1206.5475 |
Chemical Identifiers
| CAS Number | 54776-68-0 |
|---|---|
| SMILES | CN(C)C(=O)N1CN(C2(C1=O)CCN(CC2)CCCC(=O)C3=CC=CS3)C4=CC=CC=C4.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1052646 (CAS 54776-68-0), with molecular formula C28H34N4O7S and molecular weight 570.21 g/mol. IUPAC: (E)-but-2-enedioic acid;N,N-dimethyl-4-oxo-8-(4-oxo-4-thiophen-2-ylbutyl)-1-phenyl-1,3,8-triazaspiro[4.5]decane-3-carboxamide.
Chemical Property Profile of RefChem:1052646
Property Insights of RefChem:1052646
The XLogP value of 3.2453 indicates that RefChem:1052646 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 138.77 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1052646. Following Lipinski's Rule of Five, RefChem:1052646 has 2 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1052646?
The CAS number of RefChem:1052646 is 54776-68-0.
What is the molecular formula of RefChem:1052646?
The molecular formula of RefChem:1052646 is C28H34N4O7S.
What is the molecular weight of RefChem:1052646?
The molecular weight of RefChem:1052646 is 570.21 g/mol.
Where can I buy RefChem:1052646?
You can request a quote for RefChem:1052646 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052646?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052646 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.