RefChem:1098948
TL;DR: RefChem:1098948 (CAS 40536-39-8) is a chemical compound with molecular formula C38H45N3O11 and molecular weight 719.31 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(azepan-1-yl)-2-[4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)piperazin-1-yl]ethanone;bis((E)-but-2-enedioic acid)
Also Known As: Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 4'-((4-(hexahydro-1H-azepin-1-yl)carbonylmethyl)piperazinyl)methyl-, dimaleate, 1H-Azepine, hexahydro-1-[[4-(spiro[5H-dibenzo[a,d]cycloheptene-5,2'-[1,3]dioxolan]-4'-ylmethyl)-1-piperazinyl]acetyl]-, (Z)-2-butenedioate (1:2), RefChem:1098948
| Molecular Formula | C38H45N3O11 |
|---|---|
| Molecular Weight | 719.31 g/mol |
| LogP | 3.2307 |
| Topological Polar Surface Area | 194.45 Ų |
| Hydrogen Bond Donors | 4 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 8 |
| Exact Mass | 719.3054 |
| Heavy Atoms | 52 |
| Complexity | 1539.1826 |
Chemical Identifiers
| CAS Number | 40536-39-8 |
|---|---|
| SMILES | C1CCN(CCC1)C(=O)CN2CCN(CC2)CC3OC4(OC3)C5=CC=CC=C5C=CC6=CC=CC=C46.C(=C/C(=O)O)\C(=O)O.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1098948 (CAS 40536-39-8), with molecular formula C38H45N3O11 and molecular weight 719.31 g/mol. IUPAC: 1-(azepan-1-yl)-2-[4-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)piperazin-1-yl]ethanone;bis((E)-but-2-enedioic acid).
Chemical Property Profile of RefChem:1098948
Property Insights of RefChem:1098948
The XLogP value of 3.2307 indicates that RefChem:1098948 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 194.45 Ų indicates high polarity, suggesting RefChem:1098948 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, RefChem:1098948 has 4 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1098948?
The CAS number of RefChem:1098948 is 40536-39-8.
What is the molecular formula of RefChem:1098948?
The molecular formula of RefChem:1098948 is C38H45N3O11.
What is the molecular weight of RefChem:1098948?
The molecular weight of RefChem:1098948 is 719.31 g/mol.
Where can I buy RefChem:1098948?
You can request a quote for RefChem:1098948 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098948?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098948 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.