Isotussilagine
TL;DR: Isotussilagine (CAS 91108-32-6) is a chemical compound with molecular formula C10H17NO3 and molecular weight 199.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl (1S,2R,8S)-2-hydroxy-2-methyl-1,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate
Also Known As: Isotussilagine, (+)-Isotussilagine, Isotussilgine, Isotussilagine, (+)-, (+-)-Tussilagine
| Molecular Formula | C10H17NO3 |
|---|---|
| Molecular Weight | 199.12 g/mol |
| LogP | 0.6 |
| Topological Polar Surface Area | 49.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 199.12085 |
| Heavy Atoms | 14 |
| Complexity | 256.0 |
Chemical Identifiers
| CAS Number | 91108-32-6 |
|---|---|
| SMILES | C[C@@]1(CN2CCC[C@H]2[C@@H]1C(=O)OC)O |
| InChIKey | LADVYSUMGRTFSZ-XKSSXDPKSA-N |
Product Overview
Isotussilagine (CAS 91108-32-6), with molecular formula C10H17NO3 and molecular weight 199.12 g/mol. IUPAC: methyl (1S,2R,8S)-2-hydroxy-2-methyl-1,3,5,6,7,8-hexahydropyrrolizine-1-carboxylate.
Chemical Property Profile of Isotussilagine
Property Insights of Isotussilagine
The XLogP value of 0.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isotussilagine. With a topological polar surface area (TPSA) of 49.8 Ų, Isotussilagine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isotussilagine 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 Isotussilagine?
The CAS number of Isotussilagine is 91108-32-6.
What is the molecular formula of Isotussilagine?
The molecular formula of Isotussilagine is C10H17NO3.
What is the molecular weight of Isotussilagine?
The molecular weight of Isotussilagine is 199.12 g/mol.
Where can I buy Isotussilagine?
You can request a quote for Isotussilagine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isotussilagine?
Yes, KEHONG BIO provides custom synthesis services for Isotussilagine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.