1,3,3-Trimethylindolino-6'-bromobenzopyrylospiran
TL;DR: 1,3,3-Trimethylindolino-6'-bromobenzopyrylospiran (CAS 16650-14-9) is a chemical compound with molecular formula C19H18BrNO and molecular weight 355.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole]
Also Known As: 1,3,3-Trimethylindolino-6'-bromobenzopyrylospiran, 6-Bromo-1',3',3'-trimethylspiro[chromene-2,2'-indoline], 1-Benzyl-5-amino-1H-Indazole, 6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole], BAS 00398930
| Molecular Formula | C19H18BrNO |
|---|---|
| Molecular Weight | 355.06 g/mol |
| LogP | 5.6 |
| Topological Polar Surface Area | 12.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 355.0572 |
| Heavy Atoms | 22 |
| Complexity | 476.0 |
Chemical Identifiers
| CAS Number | 16650-14-9 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C=CC(=C4)Br)C)C |
| InChIKey | BDULIJWZMMHIEQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,3,3-Trimethylindolino-6'-bromobenzopyrylospiran (CAS 16650-14-9), with molecular formula C19H18BrNO and molecular weight 355.06 g/mol. IUPAC: 6-bromo-1',3',3'-trimethylspiro[chromene-2,2'-indole].
Chemical Property Profile of 1,3,3-Trimethylindolino-6'-bromobenzopyrylospiran
Property Insights of 1,3,3-Trimethylindolino-6'-bromobenzopyrylospiran
The XLogP value of 5.6 indicates that 1,3,3-Trimethylindolino-6'-bromobenzopyrylospiran is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.5 Ų, 1,3,3-Trimethylindolino-6'-bromobenzopyrylospiran exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,3,3-Trimethylindolino-6'-bromobenzopyrylospiran has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 1,3,3-Trimethylindolino-6'-bromobenzopyrylospiran?
The CAS number of 1,3,3-Trimethylindolino-6'-bromobenzopyrylospiran is 16650-14-9.
What is the molecular formula of 1,3,3-Trimethylindolino-6'-bromobenzopyrylospiran?
The molecular formula of 1,3,3-Trimethylindolino-6'-bromobenzopyrylospiran is C19H18BrNO.
What is the molecular weight of 1,3,3-Trimethylindolino-6'-bromobenzopyrylospiran?
The molecular weight of 1,3,3-Trimethylindolino-6'-bromobenzopyrylospiran is 355.06 g/mol.
Where can I buy 1,3,3-Trimethylindolino-6'-bromobenzopyrylospiran?
You can request a quote for 1,3,3-Trimethylindolino-6'-bromobenzopyrylospiran directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3,3-Trimethylindolino-6'-bromobenzopyrylospiran?
Yes, KEHONG BIO provides custom synthesis services for 1,3,3-Trimethylindolino-6'-bromobenzopyrylospiran and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.