Auricularine
TL;DR: Auricularine (CAS 73706-32-8) is a chemical compound with molecular formula C33H42N4 and molecular weight 494.34 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-[2-[(1S,9R,10S,15R,16R)-12,14,14,19-tetramethyl-8,19-diazapentacyclo[7.7.3.01,9.02,7.010,15]nonadeca-2,4,6,11-tetraen-16-yl]-1H-indol-3-yl]ethanamine
Also Known As: Auricularine, 4-Methylborreverine, J2.767.852A, N,N-dimethyl-2-[2-[(1S,9R,10S,15R,16R)-12,14,14,19-tetramethyl-8,19-diazapentacyclo[7.7.3.01,9.02,7.010,15]nonadeca-2,4,6,11-tetraen-16-yl]-1H-indol-3-yl]ethanamine, 8-(hydroxymethyl)-2,2-dimethyl-10-(3-methylbut-2-enyl)pyrano[3,2-g]chromen-6-one
| Molecular Formula | C33H42N4 |
|---|---|
| Molecular Weight | 494.34 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 34.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 494.34094 |
| Heavy Atoms | 37 |
| Complexity | 925.0 |
Chemical Identifiers
| CAS Number | 73706-32-8 |
|---|---|
| SMILES | CC1=C[C@H]2[C@@H]([C@H]([C@]34[C@]2(NC5=CC=CC=C53)N(CC4)C)C6=C(C7=CC=CC=C7N6)CCN(C)C)C(C1)(C)C |
| InChIKey | RTHNIWHULJBNTJ-BXFVMDGOSA-N |
Product Overview
Auricularine (CAS 73706-32-8), with molecular formula C33H42N4 and molecular weight 494.34 g/mol. IUPAC: N,N-dimethyl-2-[2-[(1S,9R,10S,15R,16R)-12,14,14,19-tetramethyl-8,19-diazapentacyclo[7.7.3.01,9.02,7.010,15]nonadeca-2,4,6,11-tetraen-16-yl]-1H-indol-3-yl]ethanamine.
Chemical Property Profile of Auricularine
Property Insights of Auricularine
The XLogP value of 6.2 indicates that Auricularine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 34.3 Ų, Auricularine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Auricularine has 2 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Auricularine?
The CAS number of Auricularine is 73706-32-8.
What is the molecular formula of Auricularine?
The molecular formula of Auricularine is C33H42N4.
What is the molecular weight of Auricularine?
The molecular weight of Auricularine is 494.34 g/mol.
Where can I buy Auricularine?
You can request a quote for Auricularine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Auricularine?
Yes, KEHONG BIO provides custom synthesis services for Auricularine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.