2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenyl
TL;DR: 2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenyl (CAS 120666-40-2) is a chemical compound with molecular formula C17H18O5 and molecular weight 302.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(2,3,4-trimethoxyphenyl)benzoate
Also Known As: 2,3,4-Tcb, methyl 4-(2,3,4-trimethoxyphenyl)benzoate, 2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenyl, chloro-bis(2,2-dimethylpropyl)indigane, Methyl 2',3',4'-trimethoxy-(1,1'-biphenyl)-4-carboxylate
| Molecular Formula | C17H18O5 |
|---|---|
| Molecular Weight | 302.12 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 302.11542 |
| Heavy Atoms | 22 |
| Complexity | 351.0 |
Chemical Identifiers
| CAS Number | 120666-40-2 |
|---|---|
| SMILES | COC1=C(C(=C(C=C1)C2=CC=C(C=C2)C(=O)OC)OC)OC |
| InChIKey | LWCRGAVQIHCIDM-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenyl (CAS 120666-40-2), with molecular formula C17H18O5 and molecular weight 302.12 g/mol. IUPAC: methyl 4-(2,3,4-trimethoxyphenyl)benzoate.
Chemical Property Profile of 2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenyl
Property Insights of 2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenyl
The XLogP value of 3.3 indicates that 2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenyl is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, 2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenyl exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenyl has 0 hydrogen bond donor(s) and 5 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 2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenyl?
The CAS number of 2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenyl is 120666-40-2.
What is the molecular formula of 2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenyl?
The molecular formula of 2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenyl is C17H18O5.
What is the molecular weight of 2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenyl?
The molecular weight of 2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenyl is 302.12 g/mol.
Where can I buy 2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenyl?
You can request a quote for 2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenyl directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenyl?
Yes, KEHONG BIO provides custom synthesis services for 2,3,4-Trimethoxy-4'-carbomethoxy-1,1'-biphenyl and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.