Dimethyl brassylate
TL;DR: Dimethyl brassylate (CAS 1472-87-3) is a chemical compound with molecular formula C15H28O4 and molecular weight 272.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl tridecanedioate
Also Known As: Dimethyl brassylate, DIMETHYL TRIDECANEDIOATE, Methyl brassylate, Tridecanedioic acid, 1,13-dimethyl ester, Brassylic acid dimethyl ester
| Molecular Formula | C15H28O4 |
|---|---|
| Molecular Weight | 272.20 g/mol |
| LogP | 4.6 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 272.19876 |
| Heavy Atoms | 19 |
| Complexity | 214.0 |
Chemical Identifiers
| CAS Number | 1472-87-3 |
|---|---|
| SMILES | COC(=O)CCCCCCCCCCCC(=O)OC |
| InChIKey | WWSBQOYADFGDQE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl brassylate (CAS 1472-87-3), with molecular formula C15H28O4 and molecular weight 272.20 g/mol. IUPAC: dimethyl tridecanedioate.
Chemical Property Profile of Dimethyl brassylate
Property Insights of Dimethyl brassylate
The XLogP value of 4.6 indicates that Dimethyl brassylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl brassylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl brassylate 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 Dimethyl brassylate?
The CAS number of Dimethyl brassylate is 1472-87-3.
What is the molecular formula of Dimethyl brassylate?
The molecular formula of Dimethyl brassylate is C15H28O4.
What is the molecular weight of Dimethyl brassylate?
The molecular weight of Dimethyl brassylate is 272.20 g/mol.
Where can I buy Dimethyl brassylate?
You can request a quote for Dimethyl brassylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl brassylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl brassylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.