RefChem:70648
TL;DR: RefChem:70648 (CAS 16331-96-7) is a chemical compound with molecular formula C20H20N2O4 and molecular weight 352.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
Also Known As: U - 2,3,4-Trichlorophenol, Spiro[2H-1-benzopyran-2,2'-[2H]indole],1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitro-, 5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole], Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-5'-methoxy-1',3',3'-trimethyl-6-nitro-, 5'-methoxy-1',3',3'-trimethyl-6-nitro-1',3'-dihydrospiro[chromene-2,2'-indole]
| Molecular Formula | C20H20N2O4 |
|---|---|
| Molecular Weight | 352.14 g/mol |
| LogP | 4.7 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 352.1423 |
| Heavy Atoms | 26 |
| Complexity | 601.0 |
Chemical Identifiers
| CAS Number | 16331-96-7 |
|---|---|
| SMILES | CC1(C2=C(C=CC(=C2)OC)N(C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])C)C |
| InChIKey | YPVXHRMUYMHMIT-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:70648 (CAS 16331-96-7), with molecular formula C20H20N2O4 and molecular weight 352.14 g/mol. IUPAC: 5'-methoxy-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole].
Chemical Property Profile of RefChem:70648
Property Insights of RefChem:70648
The XLogP value of 4.7 indicates that RefChem:70648 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:70648. Following Lipinski's Rule of Five, RefChem:70648 has 0 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:70648?
The CAS number of RefChem:70648 is 16331-96-7.
What is the molecular formula of RefChem:70648?
The molecular formula of RefChem:70648 is C20H20N2O4.
What is the molecular weight of RefChem:70648?
The molecular weight of RefChem:70648 is 352.14 g/mol.
Where can I buy RefChem:70648?
You can request a quote for RefChem:70648 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:70648?
Yes, KEHONG BIO provides custom synthesis services for RefChem:70648 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.