RefChem:1098946
TL;DR: RefChem:1098946 (CAS 34753-48-5) is a chemical compound with molecular formula C26H31NO6 and molecular weight 453.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;N-ethyl-N-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-4-ylmethyl)ethanamine
Also Known As: Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 10,11-dihydro-4'-(diethylamino)methyl-, oxalate, Spiro[5H-dibenzo[a,d]cycloheptene-5,2'-[1,3]dioxolane]-4'-methanamine, N,N-diethyl-10,11-dihydro-, ethanedioate (1:1), RefChem:1098946
| Molecular Formula | C26H31NO6 |
|---|---|
| Molecular Weight | 453.22 g/mol |
| LogP | 3.4553 |
| Topological Polar Surface Area | 96.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 453.21515 |
| Heavy Atoms | 33 |
| Complexity | 934.28156 |
Chemical Identifiers
| CAS Number | 34753-48-5 |
|---|---|
| SMILES | CCN(CC)CC1COC2(O1)C3=CC=CC=C3CCC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1098946 (CAS 34753-48-5), with molecular formula C26H31NO6 and molecular weight 453.22 g/mol. IUPAC: (Z)-but-2-enedioic acid;N-ethyl-N-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaene]-4-ylmethyl)ethanamine.
Chemical Property Profile of RefChem:1098946
Property Insights of RefChem:1098946
The XLogP value of 3.4553 indicates that RefChem:1098946 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 96.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1098946. Following Lipinski's Rule of Five, RefChem:1098946 has 2 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1098946?
The CAS number of RefChem:1098946 is 34753-48-5.
What is the molecular formula of RefChem:1098946?
The molecular formula of RefChem:1098946 is C26H31NO6.
What is the molecular weight of RefChem:1098946?
The molecular weight of RefChem:1098946 is 453.22 g/mol.
Where can I buy RefChem:1098946?
You can request a quote for RefChem:1098946 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098946?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098946 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.