1-Iodo-3,3-dimethyl-1-butyne
TL;DR: 1-Iodo-3,3-dimethyl-1-butyne (CAS 23700-63-2) is a chemical compound with molecular formula C6H9I and molecular weight 207.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-iodo-3,3-dimethylbut-1-yne
Also Known As: 1-Iodo-3,3-dimethyl-1-butyne, 1-iodo-3,3-dimethylbut-1-yne, 1-Iodo-3.3-dimethylbutyne, 1-BUTYNE,1-IODO-3,3-DIMETHYL-, RefChem:231045
| Molecular Formula | C6H9I |
|---|---|
| Molecular Weight | 207.97 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 207.9749 |
| Heavy Atoms | 7 |
| Complexity | 105.0 |
Chemical Identifiers
| CAS Number | 23700-63-2 |
|---|---|
| SMILES | CC(C)(C)C#CI |
| InChIKey | ICXZUQNBHRVDHZ-UHFFFAOYSA-N |
Product Overview
1-Iodo-3,3-dimethyl-1-butyne (CAS 23700-63-2), with molecular formula C6H9I and molecular weight 207.97 g/mol. IUPAC: 1-iodo-3,3-dimethylbut-1-yne.
Chemical Property Profile of 1-Iodo-3,3-dimethyl-1-butyne
Property Insights of 1-Iodo-3,3-dimethyl-1-butyne
The XLogP value of 3.0 indicates that 1-Iodo-3,3-dimethyl-1-butyne is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1-Iodo-3,3-dimethyl-1-butyne exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Iodo-3,3-dimethyl-1-butyne 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-Iodo-3,3-dimethyl-1-butyne?
The CAS number of 1-Iodo-3,3-dimethyl-1-butyne is 23700-63-2.
What is the molecular formula of 1-Iodo-3,3-dimethyl-1-butyne?
The molecular formula of 1-Iodo-3,3-dimethyl-1-butyne is C6H9I.
What is the molecular weight of 1-Iodo-3,3-dimethyl-1-butyne?
The molecular weight of 1-Iodo-3,3-dimethyl-1-butyne is 207.97 g/mol.
Where can I buy 1-Iodo-3,3-dimethyl-1-butyne?
You can request a quote for 1-Iodo-3,3-dimethyl-1-butyne directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Iodo-3,3-dimethyl-1-butyne?
Yes, KEHONG BIO provides custom synthesis services for 1-Iodo-3,3-dimethyl-1-butyne and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.