S-18986
TL;DR: S-18986 (CAS 175340-20-2) is a chemical compound with molecular formula C10H12N2O2S and molecular weight 224.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
S-18986
(3aS)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
Also Known As: S 18986, S-18986, EX-A818, S 18986 [WHO-DD], (3aS)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide
| Molecular Formula | C10H12N2O2S |
|---|---|
| Molecular Weight | 224.06 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 57.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 0 |
| Exact Mass | 224.06195 |
| Heavy Atoms | 15 |
| Complexity | 349.0 |
Chemical Identifiers
| CAS Number | 175340-20-2 |
|---|---|
| SMILES | C1C[C@@H]2NS(=O)(=O)C3=CC=CC=C3N2C1 |
| InChIKey | MNTIJYGEITVWHU-SNVBAGLBSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
S-18986 (CAS 175340-20-2), with molecular formula C10H12N2O2S and molecular weight 224.06 g/mol. IUPAC: (3aS)-2,3,3a,4-tetrahydro-1H-pyrrolo[2,1-c][1,2,4]benzothiadiazine 5,5-dioxide.
Chemical Property Profile of S-18986
Property Insights of S-18986
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for S-18986. With a topological polar surface area (TPSA) of 57.8 Ų, S-18986 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, S-18986 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 S-18986?
The CAS number of S-18986 is 175340-20-2.
What is the molecular formula of S-18986?
The molecular formula of S-18986 is C10H12N2O2S.
What is the molecular weight of S-18986?
The molecular weight of S-18986 is 224.06 g/mol.
Where can I buy S-18986?
You can request a quote for S-18986 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for S-18986?
Yes, KEHONG BIO provides custom synthesis services for S-18986 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.