2-(3',3'-Dimethyl-6-nitrospiro(1-benzopyran-2,2'-indol)-1'(3'H)-yl)ethan-1-ol
TL;DR: 2-(3',3'-Dimethyl-6-nitrospiro(1-benzopyran-2,2'-indol)-1'(3'H)-yl)ethan-1-ol (CAS 5475-99-0) 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.
2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)ethanol
Also Known As: Digammacaine, 2-(3',3'-Dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)ethanol, nitrobenzopyrylospiran, 1-(2-Hydroxyethyl)-3,3-dimethylindolino-6'-nitrobenzopyrylospiran, BAS 00398880
| Molecular Formula | C20H20N2O4 |
|---|---|
| Molecular Weight | 352.14 g/mol |
| LogP | 3.4868 |
| Topological Polar Surface Area | 75.84 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 352.1423 |
| Heavy Atoms | 26 |
| Complexity | 921.7772 |
Chemical Identifiers
| CAS Number | 5475-99-0 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])CCO)C |
Product Overview
2-(3',3'-Dimethyl-6-nitrospiro(1-benzopyran-2,2'-indol)-1'(3'H)-yl)ethan-1-ol (CAS 5475-99-0), with molecular formula C20H20N2O4 and molecular weight 352.14 g/mol. IUPAC: 2-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)ethanol.
Chemical Property Profile of 2-(3',3'-Dimethyl-6-nitrospiro(1-benzopyran-2,2'-indol)-1'(3'H)-yl)ethan-1-ol
Property Insights of 2-(3',3'-Dimethyl-6-nitrospiro(1-benzopyran-2,2'-indol)-1'(3'H)-yl)ethan-1-ol
The XLogP value of 3.4868 indicates that 2-(3',3'-Dimethyl-6-nitrospiro(1-benzopyran-2,2'-indol)-1'(3'H)-yl)ethan-1-ol is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 75.84 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(3',3'-Dimethyl-6-nitrospiro(1-benzopyran-2,2'-indol)-1'(3'H)-yl)ethan-1-ol. Following Lipinski's Rule of Five, 2-(3',3'-Dimethyl-6-nitrospiro(1-benzopyran-2,2'-indol)-1'(3'H)-yl)ethan-1-ol has 1 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 2-(3',3'-Dimethyl-6-nitrospiro(1-benzopyran-2,2'-indol)-1'(3'H)-yl)ethan-1-ol?
The CAS number of 2-(3',3'-Dimethyl-6-nitrospiro(1-benzopyran-2,2'-indol)-1'(3'H)-yl)ethan-1-ol is 5475-99-0.
What is the molecular formula of 2-(3',3'-Dimethyl-6-nitrospiro(1-benzopyran-2,2'-indol)-1'(3'H)-yl)ethan-1-ol?
The molecular formula of 2-(3',3'-Dimethyl-6-nitrospiro(1-benzopyran-2,2'-indol)-1'(3'H)-yl)ethan-1-ol is C20H20N2O4.
What is the molecular weight of 2-(3',3'-Dimethyl-6-nitrospiro(1-benzopyran-2,2'-indol)-1'(3'H)-yl)ethan-1-ol?
The molecular weight of 2-(3',3'-Dimethyl-6-nitrospiro(1-benzopyran-2,2'-indol)-1'(3'H)-yl)ethan-1-ol is 352.14 g/mol.
Where can I buy 2-(3',3'-Dimethyl-6-nitrospiro(1-benzopyran-2,2'-indol)-1'(3'H)-yl)ethan-1-ol?
You can request a quote for 2-(3',3'-Dimethyl-6-nitrospiro(1-benzopyran-2,2'-indol)-1'(3'H)-yl)ethan-1-ol directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(3',3'-Dimethyl-6-nitrospiro(1-benzopyran-2,2'-indol)-1'(3'H)-yl)ethan-1-ol?
Yes, KEHONG BIO provides custom synthesis services for 2-(3',3'-Dimethyl-6-nitrospiro(1-benzopyran-2,2'-indol)-1'(3'H)-yl)ethan-1-ol and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.