(2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate
TL;DR: (2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate (CAS 145513-90-2) is a chemical compound with molecular formula C9H15NO2 and molecular weight 169.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate
Also Known As: (2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate
| Molecular Formula | C9H15NO2 |
|---|---|
| Molecular Weight | 169.11 g/mol |
| LogP | -1.3692 |
| Topological Polar Surface Area | 56.74 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.11028 |
| Heavy Atoms | 12 |
| Complexity | 178.96756 |
Chemical Identifiers
| CAS Number | 145513-90-2 |
|---|---|
| SMILES | C1CC[C@@H]2[C@H](C1)C[C@H]([NH2+]2)C(=O)[O-] |
Product Overview
(2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate (CAS 145513-90-2), with molecular formula C9H15NO2 and molecular weight 169.11 g/mol. IUPAC: (2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate.
Chemical Property Profile of (2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate
Property Insights of (2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate
The XLogP value of -1.3692 indicates that (2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.74 Ų, (2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate has 1 hydrogen bond donor(s) and 2 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 (2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate?
The CAS number of (2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate is 145513-90-2.
What is the molecular formula of (2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate?
The molecular formula of (2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate is C9H15NO2.
What is the molecular weight of (2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate?
The molecular weight of (2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate is 169.11 g/mol.
Where can I buy (2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate?
You can request a quote for (2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for (2S,3aR,7aR)-2,3,3a,4,5,6,7,7a-octahydro-1H-indol-1-ium-2-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.