RefChem:1078548
TL;DR: RefChem:1078548 (CAS 80222-45-3) is a chemical compound with molecular formula C28H42N2O6 and molecular weight 502.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;bis(N-methyl-N-(phenylmethoxymethyl)propan-2-amine)
Also Known As: CRL 40676, alpha-((Methyl(1-methylethyl)amino)methyl)benzenemethanol (E)-2-butenedioate (2:1), Benzenemethanol, alpha-((methyl(1-methylethyl)amino)methyl)-, (E)-2-butenedioate (2:1), N-Methyl-N-isopropyl-2-amino-1-phenyl-1-ethanol fumarate, N-Methyl-N-isopropyl-2-amino-1-phenyl-1-ethanol fumarate [French]
| Molecular Formula | C28H42N2O6 |
|---|---|
| Molecular Weight | 502.30 g/mol |
| LogP | 4.7136 |
| Topological Polar Surface Area | 99.54 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 12 |
| Exact Mass | 502.3043 |
| Heavy Atoms | 36 |
| Complexity | 785.35834 |
Chemical Identifiers
| CAS Number | 80222-45-3 |
|---|---|
| SMILES | CC(C)N(C)COCC1=CC=CC=C1.CC(C)N(C)COCC1=CC=CC=C1.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1078548 (CAS 80222-45-3), with molecular formula C28H42N2O6 and molecular weight 502.30 g/mol. IUPAC: (Z)-but-2-enedioic acid;bis(N-methyl-N-(phenylmethoxymethyl)propan-2-amine).
Chemical Property Profile of RefChem:1078548
Property Insights of RefChem:1078548
The XLogP value of 4.7136 indicates that RefChem:1078548 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 99.54 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1078548. Following Lipinski's Rule of Five, RefChem:1078548 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:1078548?
The CAS number of RefChem:1078548 is 80222-45-3.
What is the molecular formula of RefChem:1078548?
The molecular formula of RefChem:1078548 is C28H42N2O6.
What is the molecular weight of RefChem:1078548?
The molecular weight of RefChem:1078548 is 502.30 g/mol.
Where can I buy RefChem:1078548?
You can request a quote for RefChem:1078548 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1078548?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1078548 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.