1-(Ethylsulfonyl)-2-iodo-3,3-dimethyl-1-butene
TL;DR: 1-(Ethylsulfonyl)-2-iodo-3,3-dimethyl-1-butene (CAS 198220-37-0) is a chemical compound with molecular formula C8H15IO2S and molecular weight 301.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-ethylsulfonyl-2-iodo-3,3-dimethylbut-1-ene
Also Known As: 1-(Ethylsulfonyl)-2-iodo-3,3-dimethyl-1-butene, 1-ethylsulfonyl-2-iodo-3,3-dimethylbut-1-ene, 1-(Ethanesulfonyl)-2-iodo-3,3-dimethylbut-1-ene
| Molecular Formula | C8H15IO2S |
|---|---|
| Molecular Weight | 301.98 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 42.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 301.98376 |
| Heavy Atoms | 12 |
| Complexity | 264.0 |
Chemical Identifiers
| CAS Number | 198220-37-0 |
|---|---|
| SMILES | CCS(=O)(=O)C=C(C(C)(C)C)I |
| InChIKey | CMXKYQAEHXCFRZ-UHFFFAOYSA-N |
Product Overview
1-(Ethylsulfonyl)-2-iodo-3,3-dimethyl-1-butene (CAS 198220-37-0), with molecular formula C8H15IO2S and molecular weight 301.98 g/mol. IUPAC: 1-ethylsulfonyl-2-iodo-3,3-dimethylbut-1-ene.
Chemical Property Profile of 1-(Ethylsulfonyl)-2-iodo-3,3-dimethyl-1-butene
Property Insights of 1-(Ethylsulfonyl)-2-iodo-3,3-dimethyl-1-butene
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(Ethylsulfonyl)-2-iodo-3,3-dimethyl-1-butene. With a topological polar surface area (TPSA) of 42.5 Ų, 1-(Ethylsulfonyl)-2-iodo-3,3-dimethyl-1-butene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(Ethylsulfonyl)-2-iodo-3,3-dimethyl-1-butene 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 1-(Ethylsulfonyl)-2-iodo-3,3-dimethyl-1-butene?
The CAS number of 1-(Ethylsulfonyl)-2-iodo-3,3-dimethyl-1-butene is 198220-37-0.
What is the molecular formula of 1-(Ethylsulfonyl)-2-iodo-3,3-dimethyl-1-butene?
The molecular formula of 1-(Ethylsulfonyl)-2-iodo-3,3-dimethyl-1-butene is C8H15IO2S.
What is the molecular weight of 1-(Ethylsulfonyl)-2-iodo-3,3-dimethyl-1-butene?
The molecular weight of 1-(Ethylsulfonyl)-2-iodo-3,3-dimethyl-1-butene is 301.98 g/mol.
Where can I buy 1-(Ethylsulfonyl)-2-iodo-3,3-dimethyl-1-butene?
You can request a quote for 1-(Ethylsulfonyl)-2-iodo-3,3-dimethyl-1-butene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(Ethylsulfonyl)-2-iodo-3,3-dimethyl-1-butene?
Yes, KEHONG BIO provides custom synthesis services for 1-(Ethylsulfonyl)-2-iodo-3,3-dimethyl-1-butene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.