2-Iodo-1-(phenylsulfonyl)pentan-3-one
TL;DR: 2-Iodo-1-(phenylsulfonyl)pentan-3-one (CAS 61193-04-2) is a chemical compound with molecular formula C11H13IO3S and molecular weight 351.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(benzenesulfonyl)-2-iodopentan-3-one
Also Known As: 2-iodo-1-(phenylsulfonyl)pentan-3-one, 1-(benzenesulfonyl)-2-iodopentan-3-one, 1-(phenylsulfonyl)-2-iodopentan-3-one
| Molecular Formula | C11H13IO3S |
|---|---|
| Molecular Weight | 351.96 g/mol |
| LogP | 0.9 |
| Topological Polar Surface Area | 59.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 351.963 |
| Heavy Atoms | 16 |
| Complexity | 326.0 |
Chemical Identifiers
| CAS Number | 61193-04-2 |
|---|---|
| SMILES | CCC(=O)C(CS(=O)(=O)C1=CC=CC=C1)I |
| InChIKey | DOPKFCTUNBWBFV-UHFFFAOYSA-N |
Product Overview
2-Iodo-1-(phenylsulfonyl)pentan-3-one (CAS 61193-04-2), with molecular formula C11H13IO3S and molecular weight 351.96 g/mol. IUPAC: 1-(benzenesulfonyl)-2-iodopentan-3-one.
Chemical Property Profile of 2-Iodo-1-(phenylsulfonyl)pentan-3-one
Property Insights of 2-Iodo-1-(phenylsulfonyl)pentan-3-one
The XLogP value of 0.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-Iodo-1-(phenylsulfonyl)pentan-3-one. With a topological polar surface area (TPSA) of 59.6 Ų, 2-Iodo-1-(phenylsulfonyl)pentan-3-one exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Iodo-1-(phenylsulfonyl)pentan-3-one has 0 hydrogen bond donor(s) and 3 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-Iodo-1-(phenylsulfonyl)pentan-3-one?
The CAS number of 2-Iodo-1-(phenylsulfonyl)pentan-3-one is 61193-04-2.
What is the molecular formula of 2-Iodo-1-(phenylsulfonyl)pentan-3-one?
The molecular formula of 2-Iodo-1-(phenylsulfonyl)pentan-3-one is C11H13IO3S.
What is the molecular weight of 2-Iodo-1-(phenylsulfonyl)pentan-3-one?
The molecular weight of 2-Iodo-1-(phenylsulfonyl)pentan-3-one is 351.96 g/mol.
Where can I buy 2-Iodo-1-(phenylsulfonyl)pentan-3-one?
You can request a quote for 2-Iodo-1-(phenylsulfonyl)pentan-3-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Iodo-1-(phenylsulfonyl)pentan-3-one?
Yes, KEHONG BIO provides custom synthesis services for 2-Iodo-1-(phenylsulfonyl)pentan-3-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.