RefChem:1077841
TL;DR: RefChem:1077841 (CAS 56138-52-4) is a chemical compound with molecular formula C32H46N2O10 and molecular weight 618.32 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(E)-but-2-enedioic acid;bis(3-[3-(tert-butylamino)-2-hydroxypropoxy]benzaldehyde)
Also Known As: 3-(3-((1,1-Dimethylethyl)amino)-2-hydroxypropoxy)benzaldehyde fumarate (2:1) (salt), 3-[2-HYDROXY-3-(TERT-BUTYLAMINO)PROPOXY]BENZALDEHYDE MALEATE, Benzaldehyde, 3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, (E)-2- butenedioate (2:1) (salt), (E)-but-2-enedioic acid; 3-[3-(tert-butylamino)-2-hydroxypropoxy]benzaldehyde, Benzaldehyde, 3-(3-((1,1-dimethylethyl)amino)-2-hydroxypropoxy)-, (E)-2-butenedioate (2:1) (salt)
| Molecular Formula | C32H46N2O10 |
|---|---|
| Molecular Weight | 618.32 g/mol |
| LogP | 2.9656 |
| Topological Polar Surface Area | 191.72 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 14 |
| Exact Mass | 618.31525 |
| Heavy Atoms | 44 |
| Complexity | 1094.5419 |
Chemical Identifiers
| CAS Number | 56138-52-4 |
|---|---|
| SMILES | CC(C)(C)NCC(COC1=CC=CC(=C1)C=O)O.CC(C)(C)NCC(COC1=CC=CC(=C1)C=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1077841 (CAS 56138-52-4), with molecular formula C32H46N2O10 and molecular weight 618.32 g/mol. IUPAC: (E)-but-2-enedioic acid;bis(3-[3-(tert-butylamino)-2-hydroxypropoxy]benzaldehyde).
Chemical Property Profile of RefChem:1077841
Property Insights of RefChem:1077841
The XLogP value of 2.9656 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1077841. The TPSA of 191.72 Ų indicates high polarity, suggesting RefChem:1077841 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1077841 has 6 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1077841?
The CAS number of RefChem:1077841 is 56138-52-4.
What is the molecular formula of RefChem:1077841?
The molecular formula of RefChem:1077841 is C32H46N2O10.
What is the molecular weight of RefChem:1077841?
The molecular weight of RefChem:1077841 is 618.32 g/mol.
Where can I buy RefChem:1077841?
You can request a quote for RefChem:1077841 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077841?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077841 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.