3,3'-Dipentyloxacarbocyanine
TL;DR: 3,3'-Dipentyloxacarbocyanine (CAS 53213-81-3) is a chemical compound with molecular formula C27H33N2O2+ and molecular weight 417.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole
Also Known As: 3,3'-Dipentyloxacarbocyanine, Dioc(5)(3), DiOC5(3), 3,3'-dipentyl-2,2'-oxacarbocyanine, [2-(pyridin-3-yloxy)propyl]amine
| Molecular Formula | C27H33N2O2+ |
|---|---|
| Molecular Weight | 417.25 g/mol |
| LogP | 6.8543 |
| Topological Polar Surface Area | 29.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 417.2542 |
| Heavy Atoms | 31 |
| Complexity | 1064.0386 |
Chemical Identifiers
| CAS Number | 53213-81-3 |
|---|---|
| SMILES | CCCCCN\1C2=CC=CC=C2O/C1=C\C=C\C3=[N+](C4=CC=CC=C4O3)CCCCC |
Product Overview
3,3'-Dipentyloxacarbocyanine (CAS 53213-81-3), with molecular formula C27H33N2O2+ and molecular weight 417.25 g/mol. IUPAC: (2Z)-3-pentyl-2-[(E)-3-(3-pentyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole.
Chemical Property Profile of 3,3'-Dipentyloxacarbocyanine
Property Insights of 3,3'-Dipentyloxacarbocyanine
The XLogP value of 6.8543 indicates that 3,3'-Dipentyloxacarbocyanine 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'-Dipentyloxacarbocyanine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Dipentyloxacarbocyanine 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'-Dipentyloxacarbocyanine?
The CAS number of 3,3'-Dipentyloxacarbocyanine is 53213-81-3.
What is the molecular formula of 3,3'-Dipentyloxacarbocyanine?
The molecular formula of 3,3'-Dipentyloxacarbocyanine is C27H33N2O2+.
What is the molecular weight of 3,3'-Dipentyloxacarbocyanine?
The molecular weight of 3,3'-Dipentyloxacarbocyanine is 417.25 g/mol.
Where can I buy 3,3'-Dipentyloxacarbocyanine?
You can request a quote for 3,3'-Dipentyloxacarbocyanine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Dipentyloxacarbocyanine?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Dipentyloxacarbocyanine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.