3-碘丙酸甲酯
TL;DR: 3-碘丙酸甲酯 (CAS 5029-66-3) is a chemical compound with molecular formula C4H7IO2 and molecular weight 213.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-碘丙酸甲酯
methyl 3-iodopropanoate
Also Known As: methyl 3-iodopropanoate, methyl 3-iodopropionate, Propionic acid, 3-iodo-, methyl ester, 3-Iodopropionic acid methyl ester, Methyl3-iodopropanoate
| Molecular Formula | C4H7IO2 |
|---|---|
| Molecular Weight | 213.95 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 213.94908 |
| Heavy Atoms | 7 |
| Complexity | 62.0 |
Chemical Identifiers
| CAS Number | 5029-66-3 |
|---|---|
| SMILES | COC(=O)CCI |
| InChIKey | YIYZNTTWHIYCOO-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3-碘丙酸甲酯 (CAS 5029-66-3), with molecular formula C4H7IO2 and molecular weight 213.95 g/mol. IUPAC: methyl 3-iodopropanoate.
Chemical Property Profile of 3-碘丙酸甲酯
Property Insights of 3-碘丙酸甲酯
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-碘丙酸甲酯. With a topological polar surface area (TPSA) of 26.3 Ų, 3-碘丙酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-碘丙酸甲酯 has 0 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 3-碘丙酸甲酯?
The CAS number of 3-碘丙酸甲酯 is 5029-66-3.
What is the molecular formula of 3-碘丙酸甲酯?
The molecular formula of 3-碘丙酸甲酯 is C4H7IO2.
What is the molecular weight of 3-碘丙酸甲酯?
The molecular weight of 3-碘丙酸甲酯 is 213.95 g/mol.
Where can I buy 3-碘丙酸甲酯?
You can request a quote for 3-碘丙酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-碘丙酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 3-碘丙酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.