噻托溴铵
TL;DR: 噻托溴铵 (CAS 186691-13-4) is a chemical compound with molecular formula C19H22NO4S2+ and molecular weight 392.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
噻托溴铵
(9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 2-hydroxy-2,2-dithiophen-2-ylacetate
Also Known As: TIOTROPIUM BROMIDE, 3-Oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-[(2-hydroxy-2,2-di-2-thienylacetyl)oxy]-9,9-dimethyl-, (1?,2?,4?,5?,7?)-, 7-{[hydroxy(dithiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonane, 7-{[Hydroxydi(thiophen-2-yl)acetyl]oxy}-9,9-dimethyl-3-oxa-9-azatricyclo[3.3.1.0~2,4~]nonan-9-ium
| Molecular Formula | C19H22NO4S2+ |
|---|---|
| Molecular Weight | 392.10 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 116.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 392.09903 |
| Heavy Atoms | 26 |
| Complexity | 564.0 |
Chemical Identifiers
| CAS Number | 186691-13-4 |
|---|---|
| SMILES | C[N+]1(C2CC(CC1C3C2O3)OC(=O)C(C4=CC=CS4)(C5=CC=CS5)O)C |
| InChIKey | LERNTVKEWCAPOY-UHFFFAOYSA-N |
Product Overview
噻托溴铵 (CAS 186691-13-4), with molecular formula C19H22NO4S2+ and molecular weight 392.10 g/mol. IUPAC: (9,9-dimethyl-3-oxa-9-azoniatricyclo[3.3.1.02,4]nonan-7-yl) 2-hydroxy-2,2-dithiophen-2-ylacetate.
Chemical Property Profile of 噻托溴铵
Property Insights of 噻托溴铵
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 噻托溴铵. The TPSA of 116.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 噻托溴铵. Following Lipinski's Rule of Five, 噻托溴铵 has 1 hydrogen bond donor(s) and 6 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 噻托溴铵?
The CAS number of 噻托溴铵 is 186691-13-4.
What is the molecular formula of 噻托溴铵?
The molecular formula of 噻托溴铵 is C19H22NO4S2+.
What is the molecular weight of 噻托溴铵?
The molecular weight of 噻托溴铵 is 392.10 g/mol.
Where can I buy 噻托溴铵?
You can request a quote for 噻托溴铵 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 噻托溴铵?
Yes, KEHONG BIO provides custom synthesis services for 噻托溴铵 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.