度硫平亚砜
TL;DR: 度硫平亚砜 (CAS 1447-71-8) is a chemical compound with molecular formula C19H21NOS and molecular weight 311.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
度硫平亚砜
N,N-dimethyl-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propan-1-amine
Also Known As: Dothiepin sulfoxide, 11-[3-(Dimethylamino)propylidene]-6,11-dihydro-5H-5lambda~4~-dibenzo[b,e]thiepin-5-one
| Molecular Formula | C19H21NOS |
|---|---|
| Molecular Weight | 311.13 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 39.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 311.1344 |
| Heavy Atoms | 22 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 1447-71-8 |
|---|---|
| SMILES | CN(C)CCC=C1C2=CC=CC=C2CS(=O)C3=CC=CC=C31 |
| InChIKey | NBNPVRZHUPMVQS-UHFFFAOYSA-N |
Product Overview
度硫平亚砜 (CAS 1447-71-8), with molecular formula C19H21NOS and molecular weight 311.13 g/mol. IUPAC: N,N-dimethyl-3-(5-oxo-6H-benzo[c][1]benzothiepin-11-ylidene)propan-1-amine.
Chemical Property Profile of 度硫平亚砜
Property Insights of 度硫平亚砜
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 度硫平亚砜. With a topological polar surface area (TPSA) of 39.5 Ų, 度硫平亚砜 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 度硫平亚砜 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 度硫平亚砜?
The CAS number of 度硫平亚砜 is 1447-71-8.
What is the molecular formula of 度硫平亚砜?
The molecular formula of 度硫平亚砜 is C19H21NOS.
What is the molecular weight of 度硫平亚砜?
The molecular weight of 度硫平亚砜 is 311.13 g/mol.
Where can I buy 度硫平亚砜?
You can request a quote for 度硫平亚砜 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 度硫平亚砜?
Yes, KEHONG BIO provides custom synthesis services for 度硫平亚砜 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.