RefChem:1098959
TL;DR: RefChem:1098959 (CAS 53630-85-6) is a chemical compound with molecular formula C25H27NO6 and molecular weight 437.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(Z)-but-2-enedioic acid;N-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)propan-2-amine
Also Known As: Spiro(5H-dibenzo(a,d)cycloheptene-5,2'-(1',3')dioxolane), 4'-(isopropylamino)methyl-, maleate, Spiro[5H-dibenzo[a,d]cycloheptene-5,2'-[1,3]dioxolane]-4'-methanamine, N-(1-methylethyl)-, (Z)-2-butenedioate (1:1), RefChem:1098959
| Molecular Formula | C25H27NO6 |
|---|---|
| Molecular Weight | 437.18 g/mol |
| LogP | 3.4967 |
| Topological Polar Surface Area | 105.09 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 437.18384 |
| Heavy Atoms | 32 |
| Complexity | 961.0971 |
Chemical Identifiers
| CAS Number | 53630-85-6 |
|---|---|
| SMILES | CC(C)NCC1COC2(O1)C3=CC=CC=C3C=CC4=CC=CC=C24.C(=C\C(=O)O)\C(=O)O |
Product Overview
RefChem:1098959 (CAS 53630-85-6), with molecular formula C25H27NO6 and molecular weight 437.18 g/mol. IUPAC: (Z)-but-2-enedioic acid;N-(spiro[1,3-dioxolane-2,2'-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,9,11,13-heptaene]-4-ylmethyl)propan-2-amine.
Chemical Property Profile of RefChem:1098959
Property Insights of RefChem:1098959
The XLogP value of 3.4967 indicates that RefChem:1098959 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 105.09 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1098959. Following Lipinski's Rule of Five, RefChem:1098959 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:1098959?
The CAS number of RefChem:1098959 is 53630-85-6.
What is the molecular formula of RefChem:1098959?
The molecular formula of RefChem:1098959 is C25H27NO6.
What is the molecular weight of RefChem:1098959?
The molecular weight of RefChem:1098959 is 437.18 g/mol.
Where can I buy RefChem:1098959?
You can request a quote for RefChem:1098959 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1098959?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1098959 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.