1-Butene-3-yne, 4-iodo-
TL;DR: 1-Butene-3-yne, 4-iodo- (CAS 40589-39-7) is a chemical compound with molecular formula C4H3I and molecular weight 177.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-iodobut-1-en-3-yne
Also Known As: 1-Butene-3-yne, 4-iodo-, 4-iodobut-1-en-3-yne, RefChem:228980
| Molecular Formula | C4H3I |
|---|---|
| Molecular Weight | 177.93 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 177.92795 |
| Heavy Atoms | 5 |
| Complexity | 80.0 |
Chemical Identifiers
| CAS Number | 40589-39-7 |
|---|---|
| SMILES | C=CC#CI |
| InChIKey | QWYPSOSNPXRMAA-UHFFFAOYSA-N |
Product Overview
1-Butene-3-yne, 4-iodo- (CAS 40589-39-7), with molecular formula C4H3I and molecular weight 177.93 g/mol. IUPAC: 4-iodobut-1-en-3-yne.
Chemical Property Profile of 1-Butene-3-yne, 4-iodo-
Property Insights of 1-Butene-3-yne, 4-iodo-
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Butene-3-yne, 4-iodo-. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Butene-3-yne, 4-iodo- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Butene-3-yne, 4-iodo- has 0 hydrogen bond donor(s) and 0 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 1-Butene-3-yne, 4-iodo-?
The CAS number of 1-Butene-3-yne, 4-iodo- is 40589-39-7.
What is the molecular formula of 1-Butene-3-yne, 4-iodo-?
The molecular formula of 1-Butene-3-yne, 4-iodo- is C4H3I.
What is the molecular weight of 1-Butene-3-yne, 4-iodo-?
The molecular weight of 1-Butene-3-yne, 4-iodo- is 177.93 g/mol.
Where can I buy 1-Butene-3-yne, 4-iodo-?
You can request a quote for 1-Butene-3-yne, 4-iodo- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Butene-3-yne, 4-iodo-?
Yes, KEHONG BIO provides custom synthesis services for 1-Butene-3-yne, 4-iodo- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.