![3-(tert-butyl)-7-((3-(pyrrolidin-1-yl)propyl)amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione structure](/static/products/840/840464-33-7.png)
3-(tert-butyl)-7-((3-(pyrrolidin-1-yl)propyl)amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
TL;DR: 3-(tert-butyl)-7-((3-(pyrrolidin-1-yl)propyl)amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione (CAS 840464-33-7) is a chemical compound with molecular formula C31H33N3O3 and molecular weight 495.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-tert-butyl-7-(3-pyrrolidin-1-ylpropylamino)-14H-naphtho[3,2-a]phenoxazine-8,13-dione
Also Known As: 3-(tert-butyl)-7-((3-(pyrrolidin-1-yl)propyl)amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione, 3-tert-butyl-7-(3-pyrrolidin-1-ylpropylamino)-14H-naphtho[3,2-a]phenoxazine-8,13-dione, 3-tert-butyl-7-{[3-(pyrrolidin-1-yl)propyl]amino}-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
| Molecular Formula | C31H33N3O3 |
|---|---|
| Molecular Weight | 495.25 g/mol |
| LogP | 6.1362 |
| Topological Polar Surface Area | 78.34 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 495.2522 |
| Heavy Atoms | 37 |
| Complexity | 1769.3531 |
Chemical Identifiers
| CAS Number | 840464-33-7 |
|---|---|
| SMILES | CC(C)(C)C1=CC2=C(C=C1)NC3=C(O2)C=C(C4=C3C(=O)C5=CC=CC=C5C4=O)NCCCN6CCCC6 |
Product Overview
3-(tert-butyl)-7-((3-(pyrrolidin-1-yl)propyl)amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione (CAS 840464-33-7), with molecular formula C31H33N3O3 and molecular weight 495.25 g/mol. IUPAC: 3-tert-butyl-7-(3-pyrrolidin-1-ylpropylamino)-14H-naphtho[3,2-a]phenoxazine-8,13-dione.
Chemical Property Profile of 3-(tert-butyl)-7-((3-(pyrrolidin-1-yl)propyl)amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
Property Insights of 3-(tert-butyl)-7-((3-(pyrrolidin-1-yl)propyl)amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione
The XLogP value of 6.1362 indicates that 3-(tert-butyl)-7-((3-(pyrrolidin-1-yl)propyl)amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.34 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-(tert-butyl)-7-((3-(pyrrolidin-1-yl)propyl)amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione. Following Lipinski's Rule of Five, 3-(tert-butyl)-7-((3-(pyrrolidin-1-yl)propyl)amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione has 2 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 3-(tert-butyl)-7-((3-(pyrrolidin-1-yl)propyl)amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione?
The CAS number of 3-(tert-butyl)-7-((3-(pyrrolidin-1-yl)propyl)amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione is 840464-33-7.
What is the molecular formula of 3-(tert-butyl)-7-((3-(pyrrolidin-1-yl)propyl)amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione?
The molecular formula of 3-(tert-butyl)-7-((3-(pyrrolidin-1-yl)propyl)amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione is C31H33N3O3.
What is the molecular weight of 3-(tert-butyl)-7-((3-(pyrrolidin-1-yl)propyl)amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione?
The molecular weight of 3-(tert-butyl)-7-((3-(pyrrolidin-1-yl)propyl)amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione is 495.25 g/mol.
Where can I buy 3-(tert-butyl)-7-((3-(pyrrolidin-1-yl)propyl)amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione?
You can request a quote for 3-(tert-butyl)-7-((3-(pyrrolidin-1-yl)propyl)amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(tert-butyl)-7-((3-(pyrrolidin-1-yl)propyl)amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione?
Yes, KEHONG BIO provides custom synthesis services for 3-(tert-butyl)-7-((3-(pyrrolidin-1-yl)propyl)amino)-8H-naphtho[2,3-a]phenoxazine-8,13(14H)-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.