Trecadrine
TL;DR: Trecadrine (CAS 90845-56-0) is a chemical compound with molecular formula C27H29NO and molecular weight 383.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[methyl-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]amino]-1-phenylpropan-1-ol
Also Known As: Trecadrine, Trecadrina, Trecadrinum, Trecadrine [INN], Trecadrinum [Latin]
| Molecular Formula | C27H29NO |
|---|---|
| Molecular Weight | 383.22 g/mol |
| LogP | 5.2 |
| Topological Polar Surface Area | 23.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 5 |
| Exact Mass | 383.2249 |
| Heavy Atoms | 29 |
| Complexity | 511.0 |
Chemical Identifiers
| CAS Number | 90845-56-0 |
|---|---|
| SMILES | CC(C(C1=CC=CC=C1)O)N(C)CC=C2C3=CC=CC=C3CCC4=CC=CC=C42 |
| InChIKey | BHVGOYREXHCFOE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Trecadrine (CAS 90845-56-0), with molecular formula C27H29NO and molecular weight 383.22 g/mol. IUPAC: 2-[methyl-[2-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)ethyl]amino]-1-phenylpropan-1-ol.
Chemical Property Profile of Trecadrine
Property Insights of Trecadrine
The XLogP value of 5.2 indicates that Trecadrine is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 23.5 Ų, Trecadrine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trecadrine has 1 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 Trecadrine?
The CAS number of Trecadrine is 90845-56-0.
What is the molecular formula of Trecadrine?
The molecular formula of Trecadrine is C27H29NO.
What is the molecular weight of Trecadrine?
The molecular weight of Trecadrine is 383.22 g/mol.
Where can I buy Trecadrine?
You can request a quote for Trecadrine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trecadrine?
Yes, KEHONG BIO provides custom synthesis services for Trecadrine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.