RefChem:1077840
TL;DR: RefChem:1077840 (CAS 56138-50-2) is a chemical compound with molecular formula C30H42N2O10 and molecular weight 590.28 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-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzaldehyde)
Also Known As: C13H19NO3.1/2C4H4O4, 3-(2-Hydroxy-3-((1-methylethyl)amino)propoxy)benzaldehyde fumarate (2:1) (salt), C13-H19-N-O3.1/2C4-H4-O4, Benzaldehyde, 3-(2-hydroxy-3-((1-methylethyl)amino)propoxy)-, (E)-2-butenedioate (2:1) (salt), (E)-but-2-enedioic acid; 3-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzaldehyde
| Molecular Formula | C30H42N2O10 |
|---|---|
| Molecular Weight | 590.28 g/mol |
| LogP | 2.1854 |
| Topological Polar Surface Area | 191.72 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 16 |
| Exact Mass | 590.28394 |
| Heavy Atoms | 42 |
| Complexity | 1019.50214 |
Chemical Identifiers
| CAS Number | 56138-50-2 |
|---|---|
| SMILES | CC(C)NCC(COC1=CC=CC(=C1)C=O)O.CC(C)NCC(COC1=CC=CC(=C1)C=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1077840 (CAS 56138-50-2), with molecular formula C30H42N2O10 and molecular weight 590.28 g/mol. IUPAC: (E)-but-2-enedioic acid;bis(3-[2-hydroxy-3-(propan-2-ylamino)propoxy]benzaldehyde).
Chemical Property Profile of RefChem:1077840
Property Insights of RefChem:1077840
The XLogP value of 2.1854 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1077840. The TPSA of 191.72 Ų indicates high polarity, suggesting RefChem:1077840 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1077840 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:1077840?
The CAS number of RefChem:1077840 is 56138-50-2.
What is the molecular formula of RefChem:1077840?
The molecular formula of RefChem:1077840 is C30H42N2O10.
What is the molecular weight of RefChem:1077840?
The molecular weight of RefChem:1077840 is 590.28 g/mol.
Where can I buy RefChem:1077840?
You can request a quote for RefChem:1077840 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1077840?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1077840 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.