1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole)
TL;DR: 1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole) (CAS 1498-88-0) is a chemical compound with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole]
Also Known As: Nitrospiropyran, 1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indoline], TMINBPS, TNSB, 1,3,3-Trimethylindolino-6'-nitrobenzopyrylospiran
| Molecular Formula | C19H18N2O3 |
|---|---|
| Molecular Weight | 322.13 g/mol |
| LogP | 4.8 |
| Topological Polar Surface Area | 58.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 322.13174 |
| Heavy Atoms | 24 |
| Complexity | 555.0 |
Chemical Identifiers
| CAS Number | 1498-88-0 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])C)C |
| InChIKey | PSXPTGAEJZYNFI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole) (CAS 1498-88-0), with molecular formula C19H18N2O3 and molecular weight 322.13 g/mol. IUPAC: 1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indole].
Chemical Property Profile of 1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole)
Property Insights of 1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole)
The XLogP value of 4.8 indicates that 1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 58.3 Ų, 1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole) has 0 hydrogen bond donor(s) and 4 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',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole)?
The CAS number of 1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole) is 1498-88-0.
What is the molecular formula of 1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole)?
The molecular formula of 1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole) is C19H18N2O3.
What is the molecular weight of 1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole)?
The molecular weight of 1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole) is 322.13 g/mol.
Where can I buy 1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole)?
You can request a quote for 1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole)?
Yes, KEHONG BIO provides custom synthesis services for 1',3'-dihydro-1',3',3'-trimethyl-6-nitrospiro(2H-1-benzopyran-2,2'-(2H)indole) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.