1,4-Butanesultam
TL;DR: 1,4-Butanesultam (CAS 37441-50-2) is a chemical compound with molecular formula C4H9NO2S and molecular weight 135.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
thiazinane 1,1-dioxide
Also Known As: 1,4-Butanesultam, 1,2-thiazinane 1,1-dioxide, thiazinane 1,1-dioxide, Sultiame-SO2NH, 1,4 butanesultam
| Molecular Formula | C4H9NO2S |
|---|---|
| Molecular Weight | 135.04 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 54.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 135.0354 |
| Heavy Atoms | 8 |
| Complexity | 155.0 |
Chemical Identifiers
| CAS Number | 37441-50-2 |
|---|---|
| SMILES | C1CCS(=O)(=O)NC1 |
| InChIKey | DNGMYXZLJGHHOM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Butanesultam (CAS 37441-50-2), with molecular formula C4H9NO2S and molecular weight 135.04 g/mol. IUPAC: thiazinane 1,1-dioxide.
Chemical Property Profile of 1,4-Butanesultam
Property Insights of 1,4-Butanesultam
The XLogP value of -0.2 indicates that 1,4-Butanesultam is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 54.6 Ų, 1,4-Butanesultam exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Butanesultam has 1 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-Butanesultam?
The CAS number of 1,4-Butanesultam is 37441-50-2.
What is the molecular formula of 1,4-Butanesultam?
The molecular formula of 1,4-Butanesultam is C4H9NO2S.
What is the molecular weight of 1,4-Butanesultam?
The molecular weight of 1,4-Butanesultam is 135.04 g/mol.
Where can I buy 1,4-Butanesultam?
You can request a quote for 1,4-Butanesultam directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Butanesultam?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Butanesultam and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.