培高利特亚砜
TL;DR: 培高利特亚砜 (CAS 72822-01-6) is a chemical compound with molecular formula C19H26N2OS and molecular weight 330.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
培高利特亚砜
(6aR,9R)-9-(methylsulfinylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline
Also Known As: Pergolide sulfoxide, 8-[(Methanesulfinyl)methyl]-6-propylergoline, (6aR,9R)-9-(methylsulfinylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline, (8beta)-8-[(Methylsulfinyl)methyl]-6-propylergoline;, (10xi)-8beta-[(Methanesulfinyl)methyl]-6-propylergoline
| Molecular Formula | C19H26N2OS |
|---|---|
| Molecular Weight | 330.18 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 55.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 330.17657 |
| Heavy Atoms | 23 |
| Complexity | 457.0 |
Chemical Identifiers
| CAS Number | 72822-01-6 |
|---|---|
| SMILES | CCCN1C[C@@H](CC2[C@H]1CC3=CNC4=CC=CC2=C34)CS(=O)C |
| InChIKey | WOIHSNDTPKFAJW-ASVPFLOSSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
培高利特亚砜 (CAS 72822-01-6), with molecular formula C19H26N2OS and molecular weight 330.18 g/mol. IUPAC: (6aR,9R)-9-(methylsulfinylmethyl)-7-propyl-6,6a,8,9,10,10a-hexahydro-4H-indolo[4,3-fg]quinoline.
Chemical Property Profile of 培高利特亚砜
Property Insights of 培高利特亚砜
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 培高利特亚砜. With a topological polar surface area (TPSA) of 55.3 Ų, 培高利特亚砜 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 培高利特亚砜 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 培高利特亚砜?
The CAS number of 培高利特亚砜 is 72822-01-6.
What is the molecular formula of 培高利特亚砜?
The molecular formula of 培高利特亚砜 is C19H26N2OS.
What is the molecular weight of 培高利特亚砜?
The molecular weight of 培高利特亚砜 is 330.18 g/mol.
Where can I buy 培高利特亚砜?
You can request a quote for 培高利特亚砜 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 培高利特亚砜?
Yes, KEHONG BIO provides custom synthesis services for 培高利特亚砜 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.