1-(beta-carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline-2,2'-2H-benzopyran)
TL;DR: 1-(beta-carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline-2,2'-2H-benzopyran) (CAS 6341-50-0) is a chemical compound with molecular formula C21H20N2O5 and molecular weight 380.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)propanoic acid
Also Known As: Benzospiropyran, 1-(beta-Carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline-2,2'-2H-benzopyran), 3-(3',3'-Dimethyl-6-nitrospiro[chromene-2,2'-indolin]-1'-yl)propanoic acid, 3-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)propanoic acid, 1-(Beta-carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline- 2,2'-2H-benzopyran)
| Molecular Formula | C21H20N2O5 |
|---|---|
| Molecular Weight | 380.14 g/mol |
| LogP | 4.3 |
| Topological Polar Surface Area | 95.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 380.1372 |
| Heavy Atoms | 28 |
| Complexity | 672.0 |
Chemical Identifiers
| CAS Number | 6341-50-0 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])CCC(=O)O)C |
| InChIKey | MHCGTEBQHSVRDP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1-(beta-carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline-2,2'-2H-benzopyran) (CAS 6341-50-0), with molecular formula C21H20N2O5 and molecular weight 380.14 g/mol. IUPAC: 3-(3',3'-dimethyl-6-nitrospiro[chromene-2,2'-indole]-1'-yl)propanoic acid.
Chemical Property Profile of 1-(beta-carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline-2,2'-2H-benzopyran)
Property Insights of 1-(beta-carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline-2,2'-2H-benzopyran)
The XLogP value of 4.3 indicates that 1-(beta-carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline-2,2'-2H-benzopyran) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 95.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 1-(beta-carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline-2,2'-2H-benzopyran). Following Lipinski's Rule of Five, 1-(beta-carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline-2,2'-2H-benzopyran) has 1 hydrogen bond donor(s) and 6 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 1-(beta-carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline-2,2'-2H-benzopyran)?
The CAS number of 1-(beta-carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline-2,2'-2H-benzopyran) is 6341-50-0.
What is the molecular formula of 1-(beta-carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline-2,2'-2H-benzopyran)?
The molecular formula of 1-(beta-carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline-2,2'-2H-benzopyran) is C21H20N2O5.
What is the molecular weight of 1-(beta-carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline-2,2'-2H-benzopyran)?
The molecular weight of 1-(beta-carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline-2,2'-2H-benzopyran) is 380.14 g/mol.
Where can I buy 1-(beta-carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline-2,2'-2H-benzopyran)?
You can request a quote for 1-(beta-carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline-2,2'-2H-benzopyran) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(beta-carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline-2,2'-2H-benzopyran)?
Yes, KEHONG BIO provides custom synthesis services for 1-(beta-carboxyethyl)-3,3-dimethyl-6'-nitrospiro(indoline-2,2'-2H-benzopyran) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.