3,3'-Dipentyloxacarbocyanine
TL;DR: 3,3'-Dipentyloxacarbocyanine (CAS 60031-82-5) 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.
3-pentyl-2-[3-(3-pentyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole
Also Known As: 3,3'-Dipentyloxacarbocyanine, 3-pentyl-2-[3-(3-pentyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole, 3-Pentyl-2-[3-(3-pentyl-1,3-benzoxazol-2(3H)-ylidene)prop-1-en-1-yl]-3H-1,3-benzoxazol-1-ium
| Molecular Formula | C27H33N2O2+ |
|---|---|
| Molecular Weight | 417.25 g/mol |
| LogP | 8.0 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 417.2542 |
| Heavy Atoms | 31 |
| Complexity | 554.0 |
Chemical Identifiers
| CAS Number | 60031-82-5 |
|---|---|
| SMILES | CCCCCN1C2=CC=CC=C2OC1=CC=CC3=[N+](C4=CC=CC=C4O3)CCCCC |
| InChIKey | ZLQJJALHJYCWSH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,3'-Dipentyloxacarbocyanine (CAS 60031-82-5), with molecular formula C27H33N2O2+ and molecular weight 417.25 g/mol. IUPAC: 3-pentyl-2-[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 8.0 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 29.5 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 60031-82-5.
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.