2-Propenal, 2-iodo-
TL;DR: 2-Propenal, 2-iodo- (CAS 99414-73-0) is a chemical compound with molecular formula C3H3IO and molecular weight 181.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-iodoprop-2-enal
Also Known As: 2-Iodo-2-propenal, 2-iodoprop-2-enal, 2-Propenal, 2-iodo-, 2-Iodoacrylaldehyde, J3.278.002D
| Molecular Formula | C3H3IO |
|---|---|
| Molecular Weight | 181.92 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 1 |
| Exact Mass | 181.92287 |
| Heavy Atoms | 5 |
| Complexity | 57.0 |
Chemical Identifiers
| CAS Number | 99414-73-0 |
|---|---|
| SMILES | C=C(C=O)I |
| InChIKey | ITMRZJAOPQPYQB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Propenal, 2-iodo- (CAS 99414-73-0), with molecular formula C3H3IO and molecular weight 181.92 g/mol. IUPAC: 2-iodoprop-2-enal.
Chemical Property Profile of 2-Propenal, 2-iodo-
Property Insights of 2-Propenal, 2-iodo-
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Propenal, 2-iodo-. With a topological polar surface area (TPSA) of 17.1 Ų, 2-Propenal, 2-iodo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Propenal, 2-iodo- has 0 hydrogen bond donor(s) and 1 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-Propenal, 2-iodo-?
The CAS number of 2-Propenal, 2-iodo- is 99414-73-0.
What is the molecular formula of 2-Propenal, 2-iodo-?
The molecular formula of 2-Propenal, 2-iodo- is C3H3IO.
What is the molecular weight of 2-Propenal, 2-iodo-?
The molecular weight of 2-Propenal, 2-iodo- is 181.92 g/mol.
Where can I buy 2-Propenal, 2-iodo-?
You can request a quote for 2-Propenal, 2-iodo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Propenal, 2-iodo-?
Yes, KEHONG BIO provides custom synthesis services for 2-Propenal, 2-iodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.