3-乙酰氨基-2,4,6-三碘氢化肉桂酸
TL;DR: 3-乙酰氨基-2,4,6-三碘氢化肉桂酸 (CAS 1456-51-5) is a chemical compound with molecular formula C11H10I3NO3 and molecular weight 584.78 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-乙酰氨基-2,4,6-三碘氢化肉桂酸
3-[3-(2-amino-2-oxoethyl)-2,4,6-triiodophenyl]propanoic acid
Also Known As: Basic Red 9; Magenta O, HYDROCINNAMIC ACID, 3-ACETAMIDO-2,4,6-TRIIODO-, 3-Acetamido-2,4,6-triiodo-hydrocinnamic acid, Basic Fuchsin (CAS 632-99-5), Acido 3-acetilamino-2,4,6-triiodofenilpropionico
| Molecular Formula | C11H10I3NO3 |
|---|---|
| Molecular Weight | 584.78 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 80.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 584.7795 |
| Heavy Atoms | 18 |
| Complexity | 327.0 |
Chemical Identifiers
| CAS Number | 1456-51-5 |
|---|---|
| SMILES | C1=C(C(=C(C(=C1I)CC(=O)N)I)CCC(=O)O)I |
| InChIKey | WVKMPQHDQHWOKE-UHFFFAOYSA-N |
Product Overview
3-乙酰氨基-2,4,6-三碘氢化肉桂酸 (CAS 1456-51-5), with molecular formula C11H10I3NO3 and molecular weight 584.78 g/mol. IUPAC: 3-[3-(2-amino-2-oxoethyl)-2,4,6-triiodophenyl]propanoic acid.
Chemical Property Profile of 3-乙酰氨基-2,4,6-三碘氢化肉桂酸
Property Insights of 3-乙酰氨基-2,4,6-三碘氢化肉桂酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-乙酰氨基-2,4,6-三碘氢化肉桂酸. The TPSA of 80.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-乙酰氨基-2,4,6-三碘氢化肉桂酸. Following Lipinski's Rule of Five, 3-乙酰氨基-2,4,6-三碘氢化肉桂酸 has 2 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-乙酰氨基-2,4,6-三碘氢化肉桂酸?
The CAS number of 3-乙酰氨基-2,4,6-三碘氢化肉桂酸 is 1456-51-5.
What is the molecular formula of 3-乙酰氨基-2,4,6-三碘氢化肉桂酸?
The molecular formula of 3-乙酰氨基-2,4,6-三碘氢化肉桂酸 is C11H10I3NO3.
What is the molecular weight of 3-乙酰氨基-2,4,6-三碘氢化肉桂酸?
The molecular weight of 3-乙酰氨基-2,4,6-三碘氢化肉桂酸 is 584.78 g/mol.
Where can I buy 3-乙酰氨基-2,4,6-三碘氢化肉桂酸?
You can request a quote for 3-乙酰氨基-2,4,6-三碘氢化肉桂酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-乙酰氨基-2,4,6-三碘氢化肉桂酸?
Yes, KEHONG BIO provides custom synthesis services for 3-乙酰氨基-2,4,6-三碘氢化肉桂酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.