RefChem:1098980
TL;DR: RefChem:1098980 (CAS 39890-24-9) is a chemical compound with molecular formula C34H41N3O12 and molecular weight 683.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis((E)-but-2-enedioic acid);N-propan-2-yl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]acetamide
Also Known As: Spiro(dibenz(b,e)oxepin-11,2'-(1',3')dioxolane), 6,11-dihydro-4'-(4-(isopropylcarbamoylmethyl)piperazinyl)methyl-, dimaleate, (E)-but-2-enedioic acid; N-propan-2-yl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]acetamide, 1-Piperazineacetamide, N-(1-methylethyl)-4-(spiro[dibenz[b,e]oxepin-11(6H),2'-[1,3]dioxolan]-4'-ylmethyl)-, (Z)-2-butenedioate (1:2), RefChem:1098980
| Molecular Formula | C34H41N3O12 |
|---|---|
| Molecular Weight | 683.27 g/mol |
| LogP | 1.7613 |
| Topological Polar Surface Area | 212.47 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 9 |
| Exact Mass | 683.26904 |
| Heavy Atoms | 49 |
| Complexity | 1418.2593 |
Chemical Identifiers
| CAS Number | 39890-24-9 |
|---|---|
| SMILES | CC(NC(=O)CN1CCN(CC1)CC2OC3(OC2)C4=CC=CC=C4OCC5=CC=CC=C35)C.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1098980 (CAS 39890-24-9), with molecular formula C34H41N3O12 and molecular weight 683.27 g/mol. IUPAC: bis((E)-but-2-enedioic acid);N-propan-2-yl-2-[4-(spiro[1,3-dioxolane-2,11'-6H-benzo[c][1]benzoxepine]-4-ylmethyl)piperazin-1-yl]acetamide.
Chemical Property Profile of RefChem:1098980
Property Insights of RefChem:1098980
The XLogP value of 1.7613 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1098980. The TPSA of 212.47 Ų indicates high polarity, suggesting RefChem:1098980 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1098980 has 5 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:1098980?
The CAS number of RefChem:1098980 is 39890-24-9.
What is the molecular formula of RefChem:1098980?
The molecular formula of RefChem:1098980 is C34H41N3O12.
What is the molecular weight of RefChem:1098980?
The molecular weight of RefChem:1098980 is 683.27 g/mol.
Where can I buy RefChem:1098980?
You can request a quote for RefChem:1098980 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098980?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098980 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.