RefChem:253686
TL;DR: RefChem:253686 (CAS 85117-97-1) is a chemical compound with molecular formula C31H38N4O3 and molecular weight 514.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2'-(dibutylamino)-8'-(diethylamino)-4'-methylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one
Also Known As: Spiro(5H-(1)benzopyrano(2,3-d)pyrimidine-5,1'(3'H)-isobenzofuran)-3'-one, 2-(dibutylamino)-8-(diethylamino)-4-methyl-, Spiro[5H-[1]benzopyrano[2,3-d]pyrimidine-5,1'(3'H)-isobenzofuran]-3'-one, 2-(dibutylamino)-8-(diethylamino)-4-methyl-, 2-(Dibutylamino)-8-(diethylamino)-4-methylspiro(5H-(1)benzopyrano(2,3-d)pyrimidine-5,1'(3'H)-isobenzofuran)-3'-one, 2-(Dibutylamino)-8-(diethylamino)-4-methylspiro[5H-[1]benzopyrano[2,3-d]pyrimidine-5,1'(3'H)-isobenzofuran]-3'-one, 2'-(Dibutylamino)-8'-(diethylamino)-4'-methyl-3H-spiro[[2]benzofuran-1,5'-[1]benzopyrano[2,3-d]pyrimidin]-3-one
| Molecular Formula | C31H38N4O3 |
|---|---|
| Molecular Weight | 514.29 g/mol |
| LogP | 7.0 |
| Topological Polar Surface Area | 67.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 10 |
| Exact Mass | 514.2944 |
| Heavy Atoms | 38 |
| Complexity | 785.0 |
Chemical Identifiers
| CAS Number | 85117-97-1 |
|---|---|
| SMILES | CCCCN(CCCC)C1=NC(=C2C(=N1)OC3=C(C24C5=CC=CC=C5C(=O)O4)C=CC(=C3)N(CC)CC)C |
| InChIKey | OMSKQMSAXYSLLE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:253686 (CAS 85117-97-1), with molecular formula C31H38N4O3 and molecular weight 514.29 g/mol. IUPAC: 2'-(dibutylamino)-8'-(diethylamino)-4'-methylspiro[2-benzofuran-3,5'-chromeno[2,3-d]pyrimidine]-1-one.
Chemical Property Profile of RefChem:253686
Property Insights of RefChem:253686
The XLogP value of 7.0 indicates that RefChem:253686 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.8 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:253686. Following Lipinski's Rule of Five, RefChem:253686 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:253686?
The CAS number of RefChem:253686 is 85117-97-1.
What is the molecular formula of RefChem:253686?
The molecular formula of RefChem:253686 is C31H38N4O3.
What is the molecular weight of RefChem:253686?
The molecular weight of RefChem:253686 is 514.29 g/mol.
Where can I buy RefChem:253686?
You can request a quote for RefChem:253686 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:253686?
Yes, KEHONG BIO provides custom synthesis services for RefChem:253686 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.