2-(2-Iodoethyl)-1,3-propanediol diacetate
TL;DR: 2-(2-Iodoethyl)-1,3-propanediol diacetate (CAS 204204-73-9) is a chemical compound with molecular formula C9H15IO4 and molecular weight 314.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(acetyloxymethyl)-4-iodobutyl] acetate
Also Known As: DISCONTINUED, [2-(acetyloxymethyl)-4-iodobutyl] acetate, 1,3-Propanediol, 2-(2-iodoethyl)-, diacetate, 2-(Acetoxymethyl)-4-iodobutyl acetate, BRL 47539
| Molecular Formula | C9H15IO4 |
|---|---|
| Molecular Weight | 314.00 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 314.0015 |
| Heavy Atoms | 14 |
| Complexity | 175.0 |
Chemical Identifiers
| CAS Number | 204204-73-9 |
|---|---|
| SMILES | CC(=O)OCC(CCI)COC(=O)C |
| InChIKey | BBRUXHDMYDKKTH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-(2-Iodoethyl)-1,3-propanediol diacetate (CAS 204204-73-9), with molecular formula C9H15IO4 and molecular weight 314.00 g/mol. IUPAC: [2-(acetyloxymethyl)-4-iodobutyl] acetate.
Chemical Property Profile of 2-(2-Iodoethyl)-1,3-propanediol diacetate
Property Insights of 2-(2-Iodoethyl)-1,3-propanediol diacetate
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(2-Iodoethyl)-1,3-propanediol diacetate. With a topological polar surface area (TPSA) of 52.6 Ų, 2-(2-Iodoethyl)-1,3-propanediol diacetate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-(2-Iodoethyl)-1,3-propanediol diacetate has 0 hydrogen bond donor(s) and 4 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 2-(2-Iodoethyl)-1,3-propanediol diacetate?
The CAS number of 2-(2-Iodoethyl)-1,3-propanediol diacetate is 204204-73-9.
What is the molecular formula of 2-(2-Iodoethyl)-1,3-propanediol diacetate?
The molecular formula of 2-(2-Iodoethyl)-1,3-propanediol diacetate is C9H15IO4.
What is the molecular weight of 2-(2-Iodoethyl)-1,3-propanediol diacetate?
The molecular weight of 2-(2-Iodoethyl)-1,3-propanediol diacetate is 314.00 g/mol.
Where can I buy 2-(2-Iodoethyl)-1,3-propanediol diacetate?
You can request a quote for 2-(2-Iodoethyl)-1,3-propanediol diacetate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-(2-Iodoethyl)-1,3-propanediol diacetate?
Yes, KEHONG BIO provides custom synthesis services for 2-(2-Iodoethyl)-1,3-propanediol diacetate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.