Brialmontin 1
TL;DR: Brialmontin 1 (CAS 128585-08-0) is a chemical compound with molecular formula C22H28O5 and molecular weight 372.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3-methoxy-2,5,6-trimethylphenyl) 2,4-dimethoxy-3,5,6-trimethylbenzoate
Also Known As: Brialmontin 1, NCI60_015818, (3-methoxy-2,5,6-trimethylphenyl) 2,4-dimethoxy-3,5,6-trimethylbenzoate, 3-methoxy-2,5,6-trimethylphenyl 2,4-dimethoxy-3,5,6-trimethylbenzoate, RefChem:121408
| Molecular Formula | C22H28O5 |
|---|---|
| Molecular Weight | 372.19 g/mol |
| LogP | 5.4 |
| Topological Polar Surface Area | 54.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 6 |
| Exact Mass | 372.19366 |
| Heavy Atoms | 27 |
| Complexity | 495.0 |
Chemical Identifiers
| CAS Number | 128585-08-0 |
|---|---|
| SMILES | CC1=CC(=C(C(=C1C)OC(=O)C2=C(C(=C(C(=C2C)C)OC)C)OC)C)OC |
| InChIKey | RTPOSGIWSAXENH-UHFFFAOYSA-N |
Product Overview
Brialmontin 1 (CAS 128585-08-0), with molecular formula C22H28O5 and molecular weight 372.19 g/mol. IUPAC: (3-methoxy-2,5,6-trimethylphenyl) 2,4-dimethoxy-3,5,6-trimethylbenzoate.
Chemical Property Profile of Brialmontin 1
Property Insights of Brialmontin 1
The XLogP value of 5.4 indicates that Brialmontin 1 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.0 Ų, Brialmontin 1 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Brialmontin 1 has 0 hydrogen bond donor(s) and 5 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Brialmontin 1?
The CAS number of Brialmontin 1 is 128585-08-0.
What is the molecular formula of Brialmontin 1?
The molecular formula of Brialmontin 1 is C22H28O5.
What is the molecular weight of Brialmontin 1?
The molecular weight of Brialmontin 1 is 372.19 g/mol.
Where can I buy Brialmontin 1?
You can request a quote for Brialmontin 1 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Brialmontin 1?
Yes, KEHONG BIO provides custom synthesis services for Brialmontin 1 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.