RefChem:1064831
TL;DR: RefChem:1064831 (CAS 58333-82-7) is a chemical compound with molecular formula C25H34N4O5S and molecular weight 502.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;5-butyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide
Also Known As: Maleate de n-butyl-5 thiazole-2 N-(o-methylphenyl-4' piperazino)ethyl carboxamide [French], 2-Thiazolecarboxamide, 5-butyl-N-(2-(4-(2-methylphenyl)-1-piperazinyl)ethyl)-, (Z)-2-butenedioate (1:1), Maleate de n-butyl-5 thiazole-2 N-(o-methylphenyl-4' piperazino)ethyl carboxamide, (E)-but-2-enedioic acid; 5-butyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide, RefChem:1064831
| Molecular Formula | C25H34N4O5S |
|---|---|
| Molecular Weight | 502.23 g/mol |
| LogP | 3.05792 |
| Topological Polar Surface Area | 123.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 502.225 |
| Heavy Atoms | 35 |
| Complexity | 983.2483 |
Chemical Identifiers
| CAS Number | 58333-82-7 |
|---|---|
| SMILES | CCCCC1=CN=C(S1)C(=O)NCCN2CCN(CC2)C3=CC=CC=C3C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1064831 (CAS 58333-82-7), with molecular formula C25H34N4O5S and molecular weight 502.23 g/mol. IUPAC: (E)-but-2-enedioic acid;5-butyl-N-[2-[4-(2-methylphenyl)piperazin-1-yl]ethyl]-1,3-thiazole-2-carboxamide.
Chemical Property Profile of RefChem:1064831
Property Insights of RefChem:1064831
The XLogP value of 3.05792 indicates that RefChem:1064831 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 123.07 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1064831. Following Lipinski's Rule of Five, RefChem:1064831 has 3 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1064831?
The CAS number of RefChem:1064831 is 58333-82-7.
What is the molecular formula of RefChem:1064831?
The molecular formula of RefChem:1064831 is C25H34N4O5S.
What is the molecular weight of RefChem:1064831?
The molecular weight of RefChem:1064831 is 502.23 g/mol.
Where can I buy RefChem:1064831?
You can request a quote for RefChem:1064831 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1064831?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1064831 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.