1,3-Diimino-5,6-bis(octyloxy)isoindoline
TL;DR: 1,3-Diimino-5,6-bis(octyloxy)isoindoline (CAS 118156-22-2) is a chemical compound with molecular formula C24H39N3O2 and molecular weight 401.30 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-imino-5,6-dioctoxyisoindol-1-amine
Also Known As: 1,3-Diimino-5,6-bis(octyloxy)isoindoline, 3-imino-5,6-dioctoxyisoindol-1-amine, 5,6-Bis(octyloxy)isoindoline-1,3-diimine, 2,4-Bis(methylsulfanyl)pentane, 5-methoxy-4-methylpyridin-3-amine
| Molecular Formula | C24H39N3O2 |
|---|---|
| Molecular Weight | 401.30 g/mol |
| LogP | 6.20947 |
| Topological Polar Surface Area | 80.69 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 16 |
| Exact Mass | 401.30423 |
| Heavy Atoms | 29 |
| Complexity | 670.3348 |
Chemical Identifiers
| CAS Number | 118156-22-2 |
|---|---|
| SMILES | CCCCCCCCOC1=C(C=C2C(=C1)C(=NC2=N)N)OCCCCCCCC |
Product Overview
1,3-Diimino-5,6-bis(octyloxy)isoindoline (CAS 118156-22-2), with molecular formula C24H39N3O2 and molecular weight 401.30 g/mol. IUPAC: 3-imino-5,6-dioctoxyisoindol-1-amine.
Chemical Property Profile of 1,3-Diimino-5,6-bis(octyloxy)isoindoline
Property Insights of 1,3-Diimino-5,6-bis(octyloxy)isoindoline
The XLogP value of 6.20947 indicates that 1,3-Diimino-5,6-bis(octyloxy)isoindoline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 80.69 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Diimino-5,6-bis(octyloxy)isoindoline. Following Lipinski's Rule of Five, 1,3-Diimino-5,6-bis(octyloxy)isoindoline has 2 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 1,3-Diimino-5,6-bis(octyloxy)isoindoline?
The CAS number of 1,3-Diimino-5,6-bis(octyloxy)isoindoline is 118156-22-2.
What is the molecular formula of 1,3-Diimino-5,6-bis(octyloxy)isoindoline?
The molecular formula of 1,3-Diimino-5,6-bis(octyloxy)isoindoline is C24H39N3O2.
What is the molecular weight of 1,3-Diimino-5,6-bis(octyloxy)isoindoline?
The molecular weight of 1,3-Diimino-5,6-bis(octyloxy)isoindoline is 401.30 g/mol.
Where can I buy 1,3-Diimino-5,6-bis(octyloxy)isoindoline?
You can request a quote for 1,3-Diimino-5,6-bis(octyloxy)isoindoline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Diimino-5,6-bis(octyloxy)isoindoline?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Diimino-5,6-bis(octyloxy)isoindoline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.