ChemDiv1_028413
TL;DR: ChemDiv1_028413 (CAS 2067-32-5) is a chemical compound with molecular formula C25H22N2O4 and molecular weight 414.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
8-methoxy-3',3'-dimethyl-6-nitro-1'-phenylspiro[chromene-2,2'-indole]
Also Known As: ChemDiv1_028413, MixCom6_000605, BAS 00398857, 8-methoxy-3',3'-dimethyl-6-nitro-1'-phenyl-1',3'-dihydrospiro[chromene-2,2'-indole], 8-methoxy-3',3'-dimethyl-6-nitro-1'-phenylspiro[chromene-2,2'-indole]
| Molecular Formula | C25H22N2O4 |
|---|---|
| Molecular Weight | 414.16 g/mol |
| LogP | 6.3 |
| Topological Polar Surface Area | 67.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 2 |
| Exact Mass | 414.15796 |
| Heavy Atoms | 31 |
| Complexity | 713.0 |
Chemical Identifiers
| CAS Number | 2067-32-5 |
|---|---|
| SMILES | CC1(C2=CC=CC=C2N(C13C=CC4=C(O3)C(=CC(=C4)[N+](=O)[O-])OC)C5=CC=CC=C5)C |
| InChIKey | MVLXWVAJODRXME-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
ChemDiv1_028413 (CAS 2067-32-5), with molecular formula C25H22N2O4 and molecular weight 414.16 g/mol. IUPAC: 8-methoxy-3',3'-dimethyl-6-nitro-1'-phenylspiro[chromene-2,2'-indole].
Chemical Property Profile of ChemDiv1_028413
Property Insights of ChemDiv1_028413
The XLogP value of 6.3 indicates that ChemDiv1_028413 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 67.5 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_028413. Following Lipinski's Rule of Five, ChemDiv1_028413 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of ChemDiv1_028413?
The CAS number of ChemDiv1_028413 is 2067-32-5.
What is the molecular formula of ChemDiv1_028413?
The molecular formula of ChemDiv1_028413 is C25H22N2O4.
What is the molecular weight of ChemDiv1_028413?
The molecular weight of ChemDiv1_028413 is 414.16 g/mol.
Where can I buy ChemDiv1_028413?
You can request a quote for ChemDiv1_028413 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_028413?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_028413 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.