RefChem:1052896
TL;DR: RefChem:1052896 (CAS 134070-03-4) is a chemical compound with molecular formula C28H29F2NO7 and molecular weight 529.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one;(E)-but-2-enedioic acid
Also Known As: 1,3-Dioxa-8-azaspiro(4.5)decan-2-one, 8-(4,4-bis(4-fluorophenyl)butyl)-4-methylene-, (Z)-2-butenedioate (1:1), 8-[4,4-bis(4-fluorophenyl)butyl]-1-methylidene-2,4-dioxa-8-azaspiro[4.5]decan-3-one; (E)-but-2-enedioic acid, RefChem:1052896
| Molecular Formula | C28H29F2NO7 |
|---|---|
| Molecular Weight | 529.19 g/mol |
| LogP | 5.1038 |
| Topological Polar Surface Area | 113.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 8 |
| Exact Mass | 529.1912 |
| Heavy Atoms | 38 |
| Complexity | 1109.1932 |
Chemical Identifiers
| CAS Number | 134070-03-4 |
|---|---|
| SMILES | C=C1C2(CCN(CC2)CCCC(C3=CC=C(C=C3)F)C4=CC=C(C=C4)F)OC(=O)O1.C(=C/C(=O)O)\C(=O)O |
Product Overview
RefChem:1052896 (CAS 134070-03-4), with molecular formula C28H29F2NO7 and molecular weight 529.19 g/mol. IUPAC: 8-[4,4-bis(4-fluorophenyl)butyl]-4-methylidene-1,3-dioxa-8-azaspiro[4.5]decan-2-one;(E)-but-2-enedioic acid.
Chemical Property Profile of RefChem:1052896
Property Insights of RefChem:1052896
The XLogP value of 5.1038 indicates that RefChem:1052896 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 113.37 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1052896. Following Lipinski's Rule of Five, RefChem:1052896 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:1052896?
The CAS number of RefChem:1052896 is 134070-03-4.
What is the molecular formula of RefChem:1052896?
The molecular formula of RefChem:1052896 is C28H29F2NO7.
What is the molecular weight of RefChem:1052896?
The molecular weight of RefChem:1052896 is 529.19 g/mol.
Where can I buy RefChem:1052896?
You can request a quote for RefChem:1052896 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1052896?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1052896 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.