thiacarbocyanine iodide
TL;DR: thiacarbocyanine iodide (CAS 134458-79-0) is a chemical compound with molecular formula C35H58N4O5 and molecular weight 614.44 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2R,3R,4R,5S)-6-cyclohexyl-5-[(2-cyclohexylacetyl)amino]-3,4-dihydroxy-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
Also Known As: thiacarbocyanine iodide, Cha-Cha-psi(CH(OH)CH(OH))-Val-Ile-Amp, Cha-Cha-.psi.[CH(OH)CH(OH)]-Val-Ile-Amp, L-Idonamide, 6-cyclohexyl-5-((cyclohexylacetyl)amino)-2,5,6-trideoxy-2-(1-methylethyl)-N-(2-methyl-1-(((2-pyridinylmethyl)amino)carbonyl)butyl)-, (S-(R*,R*))-, (2R,3R,4R,5S)-6-cyclohexyl-5-[(2-cyclohexylacetyl)amino]-3,4-dihydroxy-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide
| Molecular Formula | C35H58N4O5 |
|---|---|
| Molecular Weight | 614.44 g/mol |
| LogP | 4.6483 |
| Topological Polar Surface Area | 140.65 Ų |
| Hydrogen Bond Donors | 5 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 16 |
| Exact Mass | 614.44073 |
| Heavy Atoms | 44 |
| Complexity | 1009.6309 |
Chemical Identifiers
| CAS Number | 134458-79-0 |
|---|---|
| SMILES | CC[C@H](C)[C@@H](C(=O)NCC1=CC=CC=N1)NC(=O)[C@@H]([C@H]([C@@H]([C@H](CC2CCCCC2)NC(=O)CC3CCCCC3)O)O)C(C)C |
Product Overview
thiacarbocyanine iodide (CAS 134458-79-0), with molecular formula C35H58N4O5 and molecular weight 614.44 g/mol. IUPAC: (2R,3R,4R,5S)-6-cyclohexyl-5-[(2-cyclohexylacetyl)amino]-3,4-dihydroxy-N-[(2S,3S)-3-methyl-1-oxo-1-(pyridin-2-ylmethylamino)pentan-2-yl]-2-propan-2-ylhexanamide.
Chemical Property Profile of thiacarbocyanine iodide
Property Insights of thiacarbocyanine iodide
The XLogP value of 4.6483 indicates that thiacarbocyanine iodide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 140.65 Ų indicates high polarity, suggesting thiacarbocyanine iodide may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, thiacarbocyanine iodide has 5 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of thiacarbocyanine iodide?
The CAS number of thiacarbocyanine iodide is 134458-79-0.
What is the molecular formula of thiacarbocyanine iodide?
The molecular formula of thiacarbocyanine iodide is C35H58N4O5.
What is the molecular weight of thiacarbocyanine iodide?
The molecular weight of thiacarbocyanine iodide is 614.44 g/mol.
Where can I buy thiacarbocyanine iodide?
You can request a quote for thiacarbocyanine iodide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for thiacarbocyanine iodide?
Yes, KEHONG BIO provides custom synthesis services for thiacarbocyanine iodide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.