RefChem:1098960
TL;DR: RefChem:1098960 (CAS 52467-33-1) is a chemical compound with molecular formula C23H23NO6 and molecular weight 409.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;N-methyl-1-spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethanamine
Also Known As: 4'-(Methylamino)methylspiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane) maleate, Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 4'-(methylamino)methyl-, maleate, Spiro[5H-dibenzo[a,d]cycloheptene-5,2'-[1,3]dioxolane]-4'-methanamine, N-methyl-, (Z)-2-butenedioate (1:1), RefChem:1098960
| Molecular Formula | C23H23NO6 |
|---|---|
| Molecular Weight | 409.15 g/mol |
| LogP | 2.7181 |
| Topological Polar Surface Area | 105.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 409.15253 |
| Heavy Atoms | 30 |
| Complexity | 915.6636 |
Chemical Identifiers
| CAS Number | 52467-33-1 |
|---|---|
| SMILES | CNCC1COC2(O1)C3=CC=CC=C3C=CC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1098960 (CAS 52467-33-1), with molecular formula C23H23NO6 and molecular weight 409.15 g/mol. IUPAC: (Z)-but-2-enedioic acid;N-methyl-1-spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethanamine.
Chemical Property Profile of RefChem:1098960
Property Insights of RefChem:1098960
The XLogP value of 2.7181 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:1098960. The TPSA of 105.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1098960. Following Lipinski's Rule of Five, RefChem:1098960 has 3 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:1098960?
The CAS number of RefChem:1098960 is 52467-33-1.
What is the molecular formula of RefChem:1098960?
The molecular formula of RefChem:1098960 is C23H23NO6.
What is the molecular weight of RefChem:1098960?
The molecular weight of RefChem:1098960 is 409.15 g/mol.
Where can I buy RefChem:1098960?
You can request a quote for RefChem:1098960 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098960?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098960 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.