Propanedioic acid, (bromomethyl)methyl-, di-5-heptynyl ester
TL;DR: Propanedioic acid, (bromomethyl)methyl-, di-5-heptynyl ester (CAS 60004-36-6) is a chemical compound with molecular formula C19H27BrO4 and molecular weight 398.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(hept-5-ynyl) 2-(bromomethyl)-2-methylpropanedioate
Also Known As: Bromomethyl malonicaciddi ester, Bis(5-heptyn-1-yl) ester of Bromomethylmethylmalonic acid, Bromomethyl(methyl)malonic acid di(5-heptynyl) ester, Di(5-heptynyl) 2-(bromomethyl)-2-methylmalonate #, dihept-5-yn-1-yl(bromomethyl)(methyl)propanedioate
| Molecular Formula | C19H27BrO4 |
|---|---|
| Molecular Weight | 398.11 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 13 |
| Exact Mass | 398.10928 |
| Heavy Atoms | 24 |
| Complexity | 483.0 |
Chemical Identifiers
| CAS Number | 60004-36-6 |
|---|---|
| SMILES | CC#CCCCCOC(=O)C(C)(CBr)C(=O)OCCCCC#CC |
| InChIKey | DQAQMMYKMRVDPV-UHFFFAOYSA-N |
Product Overview
Propanedioic acid, (bromomethyl)methyl-, di-5-heptynyl ester (CAS 60004-36-6), with molecular formula C19H27BrO4 and molecular weight 398.11 g/mol. IUPAC: bis(hept-5-ynyl) 2-(bromomethyl)-2-methylpropanedioate.
Chemical Property Profile of Propanedioic acid, (bromomethyl)methyl-, di-5-heptynyl ester
Property Insights of Propanedioic acid, (bromomethyl)methyl-, di-5-heptynyl ester
The XLogP value of 4.9 indicates that Propanedioic acid, (bromomethyl)methyl-, di-5-heptynyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Propanedioic acid, (bromomethyl)methyl-, di-5-heptynyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Propanedioic acid, (bromomethyl)methyl-, di-5-heptynyl ester 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 Propanedioic acid, (bromomethyl)methyl-, di-5-heptynyl ester?
The CAS number of Propanedioic acid, (bromomethyl)methyl-, di-5-heptynyl ester is 60004-36-6.
What is the molecular formula of Propanedioic acid, (bromomethyl)methyl-, di-5-heptynyl ester?
The molecular formula of Propanedioic acid, (bromomethyl)methyl-, di-5-heptynyl ester is C19H27BrO4.
What is the molecular weight of Propanedioic acid, (bromomethyl)methyl-, di-5-heptynyl ester?
The molecular weight of Propanedioic acid, (bromomethyl)methyl-, di-5-heptynyl ester is 398.11 g/mol.
Where can I buy Propanedioic acid, (bromomethyl)methyl-, di-5-heptynyl ester?
You can request a quote for Propanedioic acid, (bromomethyl)methyl-, di-5-heptynyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Propanedioic acid, (bromomethyl)methyl-, di-5-heptynyl ester?
Yes, KEHONG BIO provides custom synthesis services for Propanedioic acid, (bromomethyl)methyl-, di-5-heptynyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.