RefChem:888553
TL;DR: RefChem:888553 (CAS 27116-62-7) is a chemical compound with molecular formula C28H25N3O3 and molecular weight 451.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7'-(diethylamino)-3'-methyl-1'-phenylspiro[2-benzofuran-3,4'-chromeno[3,2-d]pyrazole]-1-one
Also Known As: Spiro((1)benzopyrano(2,3-c)pyrazole-4(1H),1'(3'H)-isobenzofuran)-3'-one, 7-(diethylamino)-3-methyl-1-phenyl-, Spiro[[1]benzopyrano[2,3-c]pyrazole-4(1H),1'(3'H)-isobenzofuran]-3'-one, 7-(diethylamino)-3-methyl-1-phenyl-, 7'-(Diethylamino)-3'-methyl-1'-phenyl-1'H,3H-spiro[[2]benzofuran-1,4'-[1]benzopyrano[2,3-c]pyrazol]-3-one, 7'-(diethylamino)-3'-methyl-1'-phenyl-1'H,3H-spiro[2-benzofuran-1,4'-chromeno[2,3-c]pyrazol]-3-one, 7'-(diethylamino)-3'-methyl-1'-phenylspiro[2-benzofuran-3,4'-chromeno[2,3-c]pyrazole]-1-one
| Molecular Formula | C28H25N3O3 |
|---|---|
| Molecular Weight | 451.19 g/mol |
| LogP | 5.7 |
| Topological Polar Surface Area | 56.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 451.1896 |
| Heavy Atoms | 34 |
| Complexity | 753.0 |
Chemical Identifiers
| CAS Number | 27116-62-7 |
|---|---|
| SMILES | CCN(CC)C1=CC2=C(C=C1)C3(C4=CC=CC=C4C(=O)O3)C5=C(O2)N(N=C5C)C6=CC=CC=C6 |
| InChIKey | IEPMNIMZSVAHQF-UHFFFAOYSA-N |
Product Overview
RefChem:888553 (CAS 27116-62-7), with molecular formula C28H25N3O3 and molecular weight 451.19 g/mol. IUPAC: 7'-(diethylamino)-3'-methyl-1'-phenylspiro[2-benzofuran-3,4'-chromeno[3,2-d]pyrazole]-1-one.
Chemical Property Profile of RefChem:888553
Property Insights of RefChem:888553
The XLogP value of 5.7 indicates that RefChem:888553 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 56.6 Ų, RefChem:888553 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:888553 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:888553?
The CAS number of RefChem:888553 is 27116-62-7.
What is the molecular formula of RefChem:888553?
The molecular formula of RefChem:888553 is C28H25N3O3.
What is the molecular weight of RefChem:888553?
The molecular weight of RefChem:888553 is 451.19 g/mol.
Where can I buy RefChem:888553?
You can request a quote for RefChem:888553 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:888553?
Yes, KEHONG BIO provides custom synthesis services for RefChem:888553 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.