Trichocereine
TL;DR: Trichocereine (CAS 529-91-9) is a chemical compound with molecular formula C13H21NO3 and molecular weight 239.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N,N-dimethyl-2-(3,4,5-trimethoxyphenyl)ethanamine
Also Known As: Trichocereine, EINECS 259-212-9, N,N-dimethyl-2-(3,4,5-trimethoxyphenyl)ethanamine, NCI60_000553, 3,4,5-Trimethoxy-N,N-dimethylbenzeneethanamine
| Molecular Formula | C13H21NO3 |
|---|---|
| Molecular Weight | 239.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 30.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 239.15215 |
| Heavy Atoms | 17 |
| Complexity | 197.0 |
Chemical Identifiers
| CAS Number | 529-91-9 |
|---|---|
| SMILES | CN(C)CCC1=CC(=C(C(=C1)OC)OC)OC |
| InChIKey | BTSKBPJWJZFTPQ-UHFFFAOYSA-N |
Product Overview
Trichocereine (CAS 529-91-9), with molecular formula C13H21NO3 and molecular weight 239.15 g/mol. IUPAC: N,N-dimethyl-2-(3,4,5-trimethoxyphenyl)ethanamine.
Chemical Property Profile of Trichocereine
Property Insights of Trichocereine
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Trichocereine. With a topological polar surface area (TPSA) of 30.9 Ų, Trichocereine exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Trichocereine has 0 hydrogen bond donor(s) and 4 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 Trichocereine?
The CAS number of Trichocereine is 529-91-9.
What is the molecular formula of Trichocereine?
The molecular formula of Trichocereine is C13H21NO3.
What is the molecular weight of Trichocereine?
The molecular weight of Trichocereine is 239.15 g/mol.
Where can I buy Trichocereine?
You can request a quote for Trichocereine directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Trichocereine?
Yes, KEHONG BIO provides custom synthesis services for Trichocereine and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.