RefChem:349097
TL;DR: RefChem:349097 (CAS 58347-74-3) is a chemical compound with molecular formula C26H46IN and molecular weight 499.27 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3aR,3bS,5aR,6R,8aS,8bS)-1,3a,5a-trimethyl-6-[(2R)-6-methylheptan-2-yl]-2,3,3b,4,5,6,7,8,8a,8b,9,10-dodecahydroindeno[5,4-e]indol-1-ium iodide
Also Known As: 3-Azonia-A-norcholest-3(5)-ene, 3-methyl-, iodide, Indeno(5,4-e)indolium, 2,3,3a,3b,4,5,5a,6,7,8,8a,8b,9,10-tetradecahydro-1,3a,5a-trimethyl-6-octyl-, iodide, (3aR,3bS,5aR,6R,8aS,8bS)-1,3a,5a-Trimethyl-6-[(2R)-6-methylheptan-2-yl]-2,3,3a,3b,4,5,5a,6,7,8,8a,8b,9,10-tetradecahydroindeno[5,4-e]indol-1-ium iodide, (3aR,3bS,5aR,6R,8aS,8bS)-1,3a,5a-trimethyl-6-[(2R)-6-methylheptan-2-yl]-2,3,3b,4,5,6,7,8,8a,8b,9,10-dodecahydroindeno[5,4-e]indol-1-ium iodide, 1,3a,5a-Trimethyl-6-(6-methylheptan-2-yl)-2,3,3a,3b,4,5,5a,6,7,8,8a,8b,9,10-tetradecahydroindeno[5,4-e]indol-1-ium iodide
| Molecular Formula | C26H46IN |
|---|---|
| Molecular Weight | 499.27 g/mol |
| LogP | 3.7986 |
| Topological Polar Surface Area | 3.01 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 5 |
| Exact Mass | 499.2675 |
| Heavy Atoms | 28 |
| Complexity | 595.24023 |
Chemical Identifiers
| CAS Number | 58347-74-3 |
|---|---|
| SMILES | C[C@H](CCCC(C)C)[C@H]1CC[C@@H]2[C@@]1(CC[C@H]3[C@H]2CCC4=[N+](CC[C@]34C)C)C.[I-] |
Product Overview
RefChem:349097 (CAS 58347-74-3), with molecular formula C26H46IN and molecular weight 499.27 g/mol. IUPAC: (3aR,3bS,5aR,6R,8aS,8bS)-1,3a,5a-trimethyl-6-[(2R)-6-methylheptan-2-yl]-2,3,3b,4,5,6,7,8,8a,8b,9,10-dodecahydroindeno[5,4-e]indol-1-ium iodide.
Chemical Property Profile of RefChem:349097
Property Insights of RefChem:349097
The XLogP value of 3.7986 indicates that RefChem:349097 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 3.01 Ų, RefChem:349097 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:349097 has 0 hydrogen bond donor(s) and 0 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 RefChem:349097?
The CAS number of RefChem:349097 is 58347-74-3.
What is the molecular formula of RefChem:349097?
The molecular formula of RefChem:349097 is C26H46IN.
What is the molecular weight of RefChem:349097?
The molecular weight of RefChem:349097 is 499.27 g/mol.
Where can I buy RefChem:349097?
You can request a quote for RefChem:349097 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:349097?
Yes, KEHONG BIO provides custom synthesis services for RefChem:349097 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.