RefChem:1058012
TL;DR: RefChem:1058012 (CAS 137048-51-2) is a chemical compound with molecular formula C16H27N5O6S and molecular weight 417.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazole-4-sulfonamide
Also Known As: N-(3-(4-Methylpiperazino)propyl)-1-methyl-4-imidazolesulfonamide fumarate, 1H-Imidazole-4-sulfonamide, 1-methyl-N-(3-(4-methyl-1-piperazinyl)propyl)-, (E)-2-butenedioate (1:1), (E)-but-2-enedioic acid; 1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazole-4-sulfonamide, RefChem:1058012
| Molecular Formula | C16H27N5O6S |
|---|---|
| Molecular Weight | 417.17 g/mol |
| LogP | -0.9523 |
| Topological Polar Surface Area | 145.07 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 417.1682 |
| Heavy Atoms | 28 |
| Complexity | 752.24274 |
Chemical Identifiers
| CAS Number | 137048-51-2 |
|---|---|
| SMILES | CN1CCN(CC1)CCCNS(=O)(=O)C2=CN(C=N2)C.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1058012 (CAS 137048-51-2), with molecular formula C16H27N5O6S and molecular weight 417.17 g/mol. IUPAC: (E)-but-2-enedioic acid;1-methyl-N-[3-(4-methylpiperazin-1-yl)propyl]imidazole-4-sulfonamide.
Chemical Property Profile of RefChem:1058012
Property Insights of RefChem:1058012
The XLogP value of -0.9523 indicates that RefChem:1058012 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 145.07 Ų indicates high polarity, suggesting RefChem:1058012 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1058012 has 3 hydrogen bond donor(s) and 7 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:1058012?
The CAS number of RefChem:1058012 is 137048-51-2.
What is the molecular formula of RefChem:1058012?
The molecular formula of RefChem:1058012 is C16H27N5O6S.
What is the molecular weight of RefChem:1058012?
The molecular weight of RefChem:1058012 is 417.17 g/mol.
Where can I buy RefChem:1058012?
You can request a quote for RefChem:1058012 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1058012?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1058012 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.