Usambarine
TL;DR: Usambarine (CAS 35226-29-0) is a chemical compound with molecular formula C30H34N4 and molecular weight 450.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2S,3R,12bS)-3-ethenyl-2-[[(1S)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine
Also Known As: Usambarine, (2S,3R,12bS)-3-ethenyl-2-[[(1S)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine, (2S,3R,12bS)-2-[[(1S)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine, (1S)-1-{[(2S,3R,12bS)-3-ethenyl-1H,2H,3H,4H,6H,7H,12H,12bH-indolo[2,3-a]quinolizin-2-yl]methyl}-2-methyl-1H,2H,3H,4H,9H-pyrido[3,4-b]indole, (2S,3R,12bS)-2-(((1S)-2-methyl-1,3,4,9-tetrahydropyrido(3,4-b)indol-1-yl)methyl)-3-vinyl-1,2,3,4,6,7,12,12b-octahydroindolo(2,3-a)quinolizine
| Molecular Formula | C30H34N4 |
|---|---|
| Molecular Weight | 450.28 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 38.1 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 450.27835 |
| Heavy Atoms | 34 |
| Complexity | 754.0 |
Chemical Identifiers
| CAS Number | 35226-29-0 |
|---|---|
| SMILES | CN1CCC2=C([C@@H]1C[C@H]3C[C@H]4C5=C(CCN4C[C@@H]3C=C)C6=CC=CC=C6N5)NC7=CC=CC=C27 |
| InChIKey | JICXOAIUPFUZPK-DXBSEXLMSA-N |
Product Overview
Usambarine (CAS 35226-29-0), with molecular formula C30H34N4 and molecular weight 450.28 g/mol. IUPAC: (2S,3R,12bS)-3-ethenyl-2-[[(1S)-2-methyl-1,3,4,9-tetrahydropyrido[3,4-b]indol-1-yl]methyl]-1,2,3,4,6,7,12,12b-octahydroindolo[2,3-a]quinolizine.
Chemical Property Profile of Usambarine
Property Insights of Usambarine
The XLogP value of 5.4 indicates that Usambarine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.1 Ų, Usambarine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Usambarine has 2 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Usambarine?
The CAS number of Usambarine is 35226-29-0.
What is the molecular formula of Usambarine?
The molecular formula of Usambarine is C30H34N4.
What is the molecular weight of Usambarine?
The molecular weight of Usambarine is 450.28 g/mol.
Where can I buy Usambarine?
You can request a quote for Usambarine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Usambarine?
Yes, KEHONG BIO provides custom synthesis services for Usambarine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.