3,3'-Dihexyl-2,2'-oxacarbocyanine
TL;DR: 3,3'-Dihexyl-2,2'-oxacarbocyanine (CAS 5618-98-4) is a chemical compound with molecular formula C29H37N2O2+ and molecular weight 445.29 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-3-hexyl-2-[(E)-3-(3-hexyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole
Also Known As: DiOC6, Dioc6(3), Dioc(6), 3,3'-Dihexyloxacarbocyanine, 3,3'-Dihexyl-2,2'-oxacarbocyanine
| Molecular Formula | C29H37N2O2+ |
|---|---|
| Molecular Weight | 445.29 g/mol |
| LogP | 7.6345 |
| Topological Polar Surface Area | 29.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 12 |
| Exact Mass | 445.2855 |
| Heavy Atoms | 33 |
| Complexity | 1095.9498 |
Chemical Identifiers
| CAS Number | 5618-98-4 |
|---|---|
| SMILES | CCCCCCN\1C2=CC=CC=C2O/C1=C/C=C/C3=[N+](C4=CC=CC=C4O3)CCCCCC |
Product Overview
3,3'-Dihexyl-2,2'-oxacarbocyanine (CAS 5618-98-4), with molecular formula C29H37N2O2+ and molecular weight 445.29 g/mol. IUPAC: (2E)-3-hexyl-2-[(E)-3-(3-hexyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole.
Chemical Property Profile of 3,3'-Dihexyl-2,2'-oxacarbocyanine
Property Insights of 3,3'-Dihexyl-2,2'-oxacarbocyanine
The XLogP value of 7.6345 indicates that 3,3'-Dihexyl-2,2'-oxacarbocyanine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 29.49 Ų, 3,3'-Dihexyl-2,2'-oxacarbocyanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Dihexyl-2,2'-oxacarbocyanine has 0 hydrogen bond donor(s) and 3 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'-Dihexyl-2,2'-oxacarbocyanine?
The CAS number of 3,3'-Dihexyl-2,2'-oxacarbocyanine is 5618-98-4.
What is the molecular formula of 3,3'-Dihexyl-2,2'-oxacarbocyanine?
The molecular formula of 3,3'-Dihexyl-2,2'-oxacarbocyanine is C29H37N2O2+.
What is the molecular weight of 3,3'-Dihexyl-2,2'-oxacarbocyanine?
The molecular weight of 3,3'-Dihexyl-2,2'-oxacarbocyanine is 445.29 g/mol.
Where can I buy 3,3'-Dihexyl-2,2'-oxacarbocyanine?
You can request a quote for 3,3'-Dihexyl-2,2'-oxacarbocyanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Dihexyl-2,2'-oxacarbocyanine?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Dihexyl-2,2'-oxacarbocyanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.