RefChem:1098978
TL;DR: RefChem:1098978 (CAS 39890-22-7) is a chemical compound with molecular formula C32H38N2O13 and molecular weight 658.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((Z)-but-2-enedioic acid);3-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]propane-1,2-diol
Also Known As: Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(4-(2,3-dihydroxypropyl)piperazinyl)methyl-, dimaleate, (Z)-but-2-enedioic acid; 3-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]propane-1,2-diol, 1,2-Propanediol, 3-[4-(spiro[dibenz[b,e]oxepin-11(6H),2'-[1,3]dioxolan]-4'-ylmethyl)-1-piperazinyl]-, (Z)-2-butenedioate (1:2), RefChem:1098978
| Molecular Formula | C32H38N2O13 |
|---|---|
| Molecular Weight | 658.24 g/mol |
| LogP | 0.5899 |
| Topological Polar Surface Area | 223.83 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 11 |
| Rotatable Bonds | 9 |
| Exact Mass | 658.23737 |
| Heavy Atoms | 47 |
| Complexity | 1322.0815 |
Chemical Identifiers
| CAS Number | 39890-22-7 |
|---|---|
| SMILES | C1N(CCN(C1)CC(O)CO)CC2OC3(OC2)C4=CC=CC=C4OCC5=CC=CC=C35.C(=C\C(=O)O)\C(=O)O.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1098978 (CAS 39890-22-7), with molecular formula C32H38N2O13 and molecular weight 658.24 g/mol. IUPAC: bis((Z)-but-2-enedioic acid);3-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]propane-1,2-diol.
Chemical Property Profile of RefChem:1098978
Property Insights of RefChem:1098978
The XLogP value of 0.5899 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1098978. The TPSA of 223.83 Ų indicates high polarity, suggesting RefChem:1098978 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1098978 has 6 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:1098978?
The CAS number of RefChem:1098978 is 39890-22-7.
What is the molecular formula of RefChem:1098978?
The molecular formula of RefChem:1098978 is C32H38N2O13.
What is the molecular weight of RefChem:1098978?
The molecular weight of RefChem:1098978 is 658.24 g/mol.
Where can I buy RefChem:1098978?
You can request a quote for RefChem:1098978 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098978?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098978 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.