RefChem:888803
TL;DR: RefChem:888803 (CAS 20200-64-0) is a chemical compound with molecular formula C19H17N3O5 and molecular weight 367.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1',3',3'-trimethyl-6,8-dinitrospiro[chromene-2,2'-indole]
Also Known As: 1',3',3'-trimethyl-6,8-dinitro-1',3'-dihydrospiro[chromene-2,2'-indole], BAS 00398929, 1',3',3'-trimethyl-6,8-dinitrospiro[chromene-2,2'-indole], Spiro[2H-1-benzopyran-2,2'-[2H]indole], 1',3'-dihydro-1',3',3'-trimethyl-6,8-dinitro-, 1',3',3'-trimethyl-6,8-dinitrospiro[chromene-2,2'-indoline]
| Molecular Formula | C19H17N3O5 |
|---|---|
| Molecular Weight | 367.12 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 104.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 0 |
| Exact Mass | 367.11682 |
| Heavy Atoms | 27 |
| Complexity | 669.0 |
Chemical Identifiers
| CAS Number | 20200-64-0 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C(=CC(=C4)[N+](=O)[O-])[N+](=O)[O-])C)C |
| InChIKey | WOHKZAFFWQFDQP-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
RefChem:888803 (CAS 20200-64-0), with molecular formula C19H17N3O5 and molecular weight 367.12 g/mol. IUPAC: 1',3',3'-trimethyl-6,8-dinitrospiro[chromene-2,2'-indole].
Chemical Property Profile of RefChem:888803
Property Insights of RefChem:888803
The XLogP value of 4.6 indicates that RefChem:888803 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 104.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:888803. Following Lipinski's Rule of Five, RefChem:888803 has 0 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 RefChem:888803?
The CAS number of RefChem:888803 is 20200-64-0.
What is the molecular formula of RefChem:888803?
The molecular formula of RefChem:888803 is C19H17N3O5.
What is the molecular weight of RefChem:888803?
The molecular weight of RefChem:888803 is 367.12 g/mol.
Where can I buy RefChem:888803?
You can request a quote for RefChem:888803 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:888803?
Yes, KEHONG BIO provides custom synthesis services for RefChem:888803 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.