1-(4-Propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone
TL;DR: 1-(4-Propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone (CAS 1022004-08-5) is a chemical compound with molecular formula C10H20N2O3S and molecular weight 248.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone
Also Known As: 1-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone, 1-[4-(propane-2-sulfonyl)[1,4]diazepan-1-yl]ethanone
| Molecular Formula | C10H20N2O3S |
|---|---|
| Molecular Weight | 248.12 g/mol |
| LogP | 0.2788 |
| Topological Polar Surface Area | 57.69 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 248.11946 |
| Heavy Atoms | 16 |
| Complexity | 351.07565 |
Chemical Identifiers
| CAS Number | 1022004-08-5 |
|---|---|
| SMILES | CC(C)S(=O)(=O)N1CCCN(CC1)C(=O)C |
Product Overview
1-(4-Propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone (CAS 1022004-08-5), with molecular formula C10H20N2O3S and molecular weight 248.12 g/mol. IUPAC: 1-(4-propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone.
Chemical Property Profile of 1-(4-Propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone
Property Insights of 1-(4-Propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone
The XLogP value of 0.2788 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-(4-Propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone. With a topological polar surface area (TPSA) of 57.69 Ų, 1-(4-Propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-(4-Propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone 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 1-(4-Propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone?
The CAS number of 1-(4-Propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone is 1022004-08-5.
What is the molecular formula of 1-(4-Propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone?
The molecular formula of 1-(4-Propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone is C10H20N2O3S.
What is the molecular weight of 1-(4-Propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone?
The molecular weight of 1-(4-Propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone is 248.12 g/mol.
Where can I buy 1-(4-Propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone?
You can request a quote for 1-(4-Propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-(4-Propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone?
Yes, KEHONG BIO provides custom synthesis services for 1-(4-Propan-2-ylsulfonyl-1,4-diazepan-1-yl)ethanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.