碘乙酸
TL;DR: 碘乙酸 (CAS 64-69-7) is a chemical compound with molecular formula C2H3IO2 and molecular weight 185.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
碘乙酸
2-iodoacetic acid
Also Known As: IODOACETIC ACID, 2-Iodoacetic acid, iodoacetate, Acetic acid, iodo-, Monoiodoacetic acid
| Molecular Formula | C2H3IO2 |
|---|---|
| Molecular Weight | 185.92 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 185.91779 |
| Heavy Atoms | 5 |
| Complexity | 42.0 |
| Melting Point | 82.8 °C |
| Boiling Point | Decomposes |
| Solubility | greater than or equal to 100 mg/mL at 70.7 °F (NTP, 1992) |
Chemical Identifiers
| CAS Number | 64-69-7 |
|---|---|
| SMILES | C(C(=O)O)I |
| InChIKey | JDNTWHVOXJZDSN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 22 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
碘乙酸 (CAS 64-69-7), with molecular formula C2H3IO2 and molecular weight 185.92 g/mol. IUPAC: 2-iodoacetic acid.
Chemical Property Profile of 碘乙酸
Property Insights of 碘乙酸
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 碘乙酸. With a topological polar surface area (TPSA) of 37.3 Ų, 碘乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 碘乙酸 has 1 hydrogen bond donor(s) and 2 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 碘乙酸?
The CAS number of 碘乙酸 is 64-69-7.
What is the molecular formula of 碘乙酸?
The molecular formula of 碘乙酸 is C2H3IO2.
What is the molecular weight of 碘乙酸?
The molecular weight of 碘乙酸 is 185.92 g/mol.
Where can I buy 碘乙酸?
You can request a quote for 碘乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 碘乙酸?
Yes, KEHONG BIO provides custom synthesis services for 碘乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.