RS 2039
TL;DR: RS 2039 (CAS 100364-67-8) is a chemical compound with molecular formula C12H17NO2S2 and molecular weight 271.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-methyl-8-methylsulfonyl-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine
Also Known As: RS 2039, 6-Methyl-8-methylsulfonyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocine, 6-methyl-8-methylsulfonyl-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine, 2H-5,1-Benzothiazocine, 1,3,4,6-tetrahydro-6-methyl-8-(methylsulfonyl)-, 8-(Methanesulfonyl)-6-methyl-1,3,4,6-tetrahydro-2H-5,1-benzothiazocine
| Molecular Formula | C12H17NO2S2 |
|---|---|
| Molecular Weight | 271.07 g/mol |
| LogP | 2.6999 |
| Topological Polar Surface Area | 46.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 271.07007 |
| Heavy Atoms | 17 |
| Complexity | 511.23697 |
Chemical Identifiers
| CAS Number | 100364-67-8 |
|---|---|
| SMILES | CC1C2=C(C=CC(=C2)S(=O)(=O)C)NCCCS1 |
Product Overview
RS 2039 (CAS 100364-67-8), with molecular formula C12H17NO2S2 and molecular weight 271.07 g/mol. IUPAC: 6-methyl-8-methylsulfonyl-2,3,4,6-tetrahydro-1H-5,1-benzothiazocine.
Chemical Property Profile of RS 2039
Property Insights of RS 2039
The XLogP value of 2.6999 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RS 2039. With a topological polar surface area (TPSA) of 46.17 Ų, RS 2039 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RS 2039 has 1 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 RS 2039?
The CAS number of RS 2039 is 100364-67-8.
What is the molecular formula of RS 2039?
The molecular formula of RS 2039 is C12H17NO2S2.
What is the molecular weight of RS 2039?
The molecular weight of RS 2039 is 271.07 g/mol.
Where can I buy RS 2039?
You can request a quote for RS 2039 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RS 2039?
Yes, KEHONG BIO provides custom synthesis services for RS 2039 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.