RefChem:1098981
TL;DR: RefChem:1098981 (CAS 39890-28-3) is a chemical compound with molecular formula C35H41N3O13 and molecular weight 711.26 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);1-morpholin-4-yl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone
Also Known As: Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(4-(morpholinocarbonylmethyl)piperazinyl)methyl-, dimaleate, (E)-but-2-enedioic acid; 1-morpholin-4-yl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone, Morpholine, 4-[[4-(spiro[dibenz[b,e]oxepin-11(6H),2'-[1,3]dioxolan]-4'-ylmethyl)-1-piperazinyl]acetyl]-, (Z)-2-butenedioate (1:2), RefChem:1098981
| Molecular Formula | C35H41N3O13 |
|---|---|
| Molecular Weight | 711.26 g/mol |
| LogP | 1.0955 |
| Topological Polar Surface Area | 212.91 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 8 |
| Exact Mass | 711.2639 |
| Heavy Atoms | 51 |
| Complexity | 1483.1498 |
Chemical Identifiers
| CAS Number | 39890-28-3 |
|---|---|
| SMILES | C1N(CCN(C1)CC(=O)N2CCOCC2)CC3OC4(OC3)C5=CC=CC=C5OCC6=CC=CC=C46.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1098981 (CAS 39890-28-3), with molecular formula C35H41N3O13 and molecular weight 711.26 g/mol. IUPAC: bis((E)-but-2-enedioic acid);1-morpholin-4-yl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]ethanone.
Chemical Property Profile of RefChem:1098981
Property Insights of RefChem:1098981
The XLogP value of 1.0955 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1098981. The TPSA of 212.91 Ų indicates high polarity, suggesting RefChem:1098981 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1098981 has 4 hydrogen bond donor(s) and 11 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1098981?
The CAS number of RefChem:1098981 is 39890-28-3.
What is the molecular formula of RefChem:1098981?
The molecular formula of RefChem:1098981 is C35H41N3O13.
What is the molecular weight of RefChem:1098981?
The molecular weight of RefChem:1098981 is 711.26 g/mol.
Where can I buy RefChem:1098981?
You can request a quote for RefChem:1098981 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098981?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098981 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.