RefChem:1057972
TL;DR: RefChem:1057972 (CAS 98836-74-9) is a chemical compound with molecular formula C34H46N6O4 and molecular weight 602.36 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;bis(1-imidazol-1-yl-N,N-dimethyl-2-phenylbutan-2-amine)
Also Known As: JO 1274, 1H-Imidazole-1-ethanamine, N,N-dimethyl-alpha-ethyl-alpha-phenyl-, (-)-, (Z)-2-butenedioate (2:1), 1-((2-Phenyl 2-ethyl) 2-N,N-dimethylaminoethyl)imidazole hemimaleate [French], 1-((2-Phenyl 2-ethyl) 2-N,N-dimethylaminoethyl)imidazole hemimaleate, (Z)-but-2-enedioic acid; 1-imidazol-1-yl-N,N-dimethyl-2-phenylbutan-2-amine
| Molecular Formula | C34H46N6O4 |
|---|---|
| Molecular Weight | 602.36 g/mol |
| LogP | 5.2122 |
| Topological Polar Surface Area | 116.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 602.35803 |
| Heavy Atoms | 44 |
| Complexity | 1282.5842 |
Chemical Identifiers
| CAS Number | 98836-74-9 |
|---|---|
| SMILES | CCC(CN1C=CN=C1)(C2=CC=CC=C2)N(C)C.CCC(CN1C=CN=C1)(C2=CC=CC=C2)N(C)C.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1057972 (CAS 98836-74-9), with molecular formula C34H46N6O4 and molecular weight 602.36 g/mol. IUPAC: (Z)-but-2-enedioic acid;bis(1-imidazol-1-yl-N,N-dimethyl-2-phenylbutan-2-amine).
Chemical Property Profile of RefChem:1057972
Property Insights of RefChem:1057972
The XLogP value of 5.2122 indicates that RefChem:1057972 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 116.72 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1057972. Following Lipinski's Rule of Five, RefChem:1057972 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1057972?
The CAS number of RefChem:1057972 is 98836-74-9.
What is the molecular formula of RefChem:1057972?
The molecular formula of RefChem:1057972 is C34H46N6O4.
What is the molecular weight of RefChem:1057972?
The molecular weight of RefChem:1057972 is 602.36 g/mol.
Where can I buy RefChem:1057972?
You can request a quote for RefChem:1057972 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1057972?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1057972 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.