3',3'-Dimethyl-1'-octadecyl-6-nitrospiro(2h-benzopyran-2,2'-indoline)
TL;DR: 3',3'-Dimethyl-1'-octadecyl-6-nitrospiro(2h-benzopyran-2,2'-indoline) (CAS 70877-18-8) is a chemical compound with molecular formula C36H52N2O3 and molecular weight 560.40 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3',3'-dimethyl-6-nitro-1'-octadecylspiro[chromene-2,2'-indole]
Also Known As: 3',3'-dimethyl-1'-octadecyl-6-nitrospiro(2h-benzopyran-2,2'-indoline), 3',3'-dimethyl-6-nitro-1'-octadecyl-1',3'-dihydrospiro[chromene-2,2'-indole], 3',3'-dimethyl-6-nitro-1'-octadecyl-spiro[chromene-2,2'-indole], 3',3'-dimethyl-6-nitro-1'-octadecylspiro[chromene-2,2'-indole], 13,13-dimethyl-6-nitro-11-octadecylspiro[2H-chromene-2,2'-indoline]
| Molecular Formula | C36H52N2O3 |
|---|---|
| Molecular Weight | 560.40 g/mol |
| LogP | 10.756 |
| Topological Polar Surface Area | 55.61 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 18 |
| Exact Mass | 560.39777 |
| Heavy Atoms | 41 |
| Complexity | 1157.2648 |
Chemical Identifiers
| CAS Number | 70877-18-8 |
|---|---|
| SMILES | CCCCCCCCCCCCCCCCCCN1C2=CC=CC=C2C(C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])(C)C |
Product Overview
3',3'-Dimethyl-1'-octadecyl-6-nitrospiro(2h-benzopyran-2,2'-indoline) (CAS 70877-18-8), with molecular formula C36H52N2O3 and molecular weight 560.40 g/mol. IUPAC: 3',3'-dimethyl-6-nitro-1'-octadecylspiro[chromene-2,2'-indole].
Chemical Property Profile of 3',3'-Dimethyl-1'-octadecyl-6-nitrospiro(2h-benzopyran-2,2'-indoline)
Property Insights of 3',3'-Dimethyl-1'-octadecyl-6-nitrospiro(2h-benzopyran-2,2'-indoline)
The XLogP value of 10.756 indicates that 3',3'-Dimethyl-1'-octadecyl-6-nitrospiro(2h-benzopyran-2,2'-indoline) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.61 Ų, 3',3'-Dimethyl-1'-octadecyl-6-nitrospiro(2h-benzopyran-2,2'-indoline) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3',3'-Dimethyl-1'-octadecyl-6-nitrospiro(2h-benzopyran-2,2'-indoline) has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3',3'-Dimethyl-1'-octadecyl-6-nitrospiro(2h-benzopyran-2,2'-indoline)?
The CAS number of 3',3'-Dimethyl-1'-octadecyl-6-nitrospiro(2h-benzopyran-2,2'-indoline) is 70877-18-8.
What is the molecular formula of 3',3'-Dimethyl-1'-octadecyl-6-nitrospiro(2h-benzopyran-2,2'-indoline)?
The molecular formula of 3',3'-Dimethyl-1'-octadecyl-6-nitrospiro(2h-benzopyran-2,2'-indoline) is C36H52N2O3.
What is the molecular weight of 3',3'-Dimethyl-1'-octadecyl-6-nitrospiro(2h-benzopyran-2,2'-indoline)?
The molecular weight of 3',3'-Dimethyl-1'-octadecyl-6-nitrospiro(2h-benzopyran-2,2'-indoline) is 560.40 g/mol.
Where can I buy 3',3'-Dimethyl-1'-octadecyl-6-nitrospiro(2h-benzopyran-2,2'-indoline)?
You can request a quote for 3',3'-Dimethyl-1'-octadecyl-6-nitrospiro(2h-benzopyran-2,2'-indoline) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3',3'-Dimethyl-1'-octadecyl-6-nitrospiro(2h-benzopyran-2,2'-indoline)?
Yes, KEHONG BIO provides custom synthesis services for 3',3'-Dimethyl-1'-octadecyl-6-nitrospiro(2h-benzopyran-2,2'-indoline) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.