4-(Butylamino)-3-hydroxythiolane-1,1-dione
TL;DR: 4-(Butylamino)-3-hydroxythiolane-1,1-dione (CAS 53381-42-3) is a chemical compound with molecular formula C8H17NO3S and molecular weight 207.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(butylamino)-1,1-dioxothiolan-3-ol
Also Known As: 4-(butylamino)-1,1-dioxothiolan-3-ol, 4-(butylamino)-3-hydroxythiolane-1,1-dione, 4-butylamino-1,1-dioxo-thiolan-3-ol, 4-(butylamino)tetrahydrothiophene-3-ol 1,1-dioxide, 3-(butylamino)-4-hydroxytetrahydrothiophene 1,1-dioxide
| Molecular Formula | C8H17NO3S |
|---|---|
| Molecular Weight | 207.09 g/mol |
| LogP | -0.466 |
| Topological Polar Surface Area | 66.4 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 207.09291 |
| Heavy Atoms | 13 |
| Complexity | 250.11476 |
Chemical Identifiers
| CAS Number | 53381-42-3 |
|---|---|
| SMILES | CCCCNC1CS(=O)(=O)CC1O |
Product Overview
4-(Butylamino)-3-hydroxythiolane-1,1-dione (CAS 53381-42-3), with molecular formula C8H17NO3S and molecular weight 207.09 g/mol. IUPAC: 4-(butylamino)-1,1-dioxothiolan-3-ol.
Chemical Property Profile of 4-(Butylamino)-3-hydroxythiolane-1,1-dione
Property Insights of 4-(Butylamino)-3-hydroxythiolane-1,1-dione
The XLogP value of -0.466 indicates that 4-(Butylamino)-3-hydroxythiolane-1,1-dione is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 66.4 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-(Butylamino)-3-hydroxythiolane-1,1-dione. Following Lipinski's Rule of Five, 4-(Butylamino)-3-hydroxythiolane-1,1-dione has 2 hydrogen bond donor(s) and 4 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 4-(Butylamino)-3-hydroxythiolane-1,1-dione?
The CAS number of 4-(Butylamino)-3-hydroxythiolane-1,1-dione is 53381-42-3.
What is the molecular formula of 4-(Butylamino)-3-hydroxythiolane-1,1-dione?
The molecular formula of 4-(Butylamino)-3-hydroxythiolane-1,1-dione is C8H17NO3S.
What is the molecular weight of 4-(Butylamino)-3-hydroxythiolane-1,1-dione?
The molecular weight of 4-(Butylamino)-3-hydroxythiolane-1,1-dione is 207.09 g/mol.
Where can I buy 4-(Butylamino)-3-hydroxythiolane-1,1-dione?
You can request a quote for 4-(Butylamino)-3-hydroxythiolane-1,1-dione directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(Butylamino)-3-hydroxythiolane-1,1-dione?
Yes, KEHONG BIO provides custom synthesis services for 4-(Butylamino)-3-hydroxythiolane-1,1-dione and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.