3,3'-Dipropyloxacarbocyanine iodide
TL;DR: 3,3'-Dipropyloxacarbocyanine iodide (CAS 53213-79-9) is a chemical compound with molecular formula C23H25IN2O2 and molecular weight 488.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2E)-3-propyl-2-[(E)-3-(3-propyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide
Also Known As: 3,3'-Dipropyloxacarbocyanine iodide, 3-propyl-2-[(E,3E)-3-(3-propylbenzooxazol-2-ylidene)prop-1-enyl]benzooxazole Iodide
| Molecular Formula | C23H25IN2O2 |
|---|---|
| Molecular Weight | 488.10 g/mol |
| LogP | 2.2979 |
| Topological Polar Surface Area | 29.49 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 488.09607 |
| Heavy Atoms | 28 |
| Complexity | 1006.7599 |
Chemical Identifiers
| CAS Number | 53213-79-9 |
|---|---|
| SMILES | CCCN\1C2=CC=CC=C2O/C1=C/C=C/C3=[N+](C4=CC=CC=C4O3)CCC.[I-] |
Product Overview
3,3'-Dipropyloxacarbocyanine iodide (CAS 53213-79-9), with molecular formula C23H25IN2O2 and molecular weight 488.10 g/mol. IUPAC: (2E)-3-propyl-2-[(E)-3-(3-propyl-1,3-benzoxazol-3-ium-2-yl)prop-2-enylidene]-1,3-benzoxazole iodide.
Chemical Property Profile of 3,3'-Dipropyloxacarbocyanine iodide
Property Insights of 3,3'-Dipropyloxacarbocyanine iodide
The XLogP value of 2.2979 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,3'-Dipropyloxacarbocyanine iodide. With a topological polar surface area (TPSA) of 29.49 Ų, 3,3'-Dipropyloxacarbocyanine iodide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,3'-Dipropyloxacarbocyanine iodide has 0 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,3'-Dipropyloxacarbocyanine iodide?
The CAS number of 3,3'-Dipropyloxacarbocyanine iodide is 53213-79-9.
What is the molecular formula of 3,3'-Dipropyloxacarbocyanine iodide?
The molecular formula of 3,3'-Dipropyloxacarbocyanine iodide is C23H25IN2O2.
What is the molecular weight of 3,3'-Dipropyloxacarbocyanine iodide?
The molecular weight of 3,3'-Dipropyloxacarbocyanine iodide is 488.10 g/mol.
Where can I buy 3,3'-Dipropyloxacarbocyanine iodide?
You can request a quote for 3,3'-Dipropyloxacarbocyanine iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,3'-Dipropyloxacarbocyanine iodide?
Yes, KEHONG BIO provides custom synthesis services for 3,3'-Dipropyloxacarbocyanine iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.