惕格列定
TL;DR: 惕格列定 (CAS 495-83-0) is a chemical compound with molecular formula C13H21NO2 and molecular weight 223.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
惕格列定
(8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methylbut-2-enoate
Also Known As: Tigloidine, Tropigline, tigloidin, Tigloyltropeine, Tigloyl pseudotropine; Tiglylpseudotropine; Tiglyssin
| Molecular Formula | C13H21NO2 |
|---|---|
| Molecular Weight | 223.16 g/mol |
| LogP | 2.5 |
| Topological Polar Surface Area | 29.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 223.15723 |
| Heavy Atoms | 16 |
| Complexity | 297.0 |
Chemical Identifiers
| CAS Number | 495-83-0 |
|---|---|
| SMILES | CC=C(C)C(=O)OC1CC2CCC(C1)N2C |
| InChIKey | UVHGSMZRSVGWDJ-UHFFFAOYSA-N |
Product Overview
惕格列定 (CAS 495-83-0), with molecular formula C13H21NO2 and molecular weight 223.16 g/mol. IUPAC: (8-methyl-8-azabicyclo[3.2.1]octan-3-yl) 2-methylbut-2-enoate.
Chemical Property Profile of 惕格列定
Property Insights of 惕格列定
The XLogP value of 2.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 惕格列定. With a topological polar surface area (TPSA) of 29.5 Ų, 惕格列定 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 惕格列定 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 惕格列定?
The CAS number of 惕格列定 is 495-83-0.
What is the molecular formula of 惕格列定?
The molecular formula of 惕格列定 is C13H21NO2.
What is the molecular weight of 惕格列定?
The molecular weight of 惕格列定 is 223.16 g/mol.
Where can I buy 惕格列定?
You can request a quote for 惕格列定 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 惕格列定?
Yes, KEHONG BIO provides custom synthesis services for 惕格列定 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.