Diethyl 4,6-bis(bromomethyl)isophthalate
TL;DR: Diethyl 4,6-bis(bromomethyl)isophthalate (CAS 140410-08-8) is a chemical compound with molecular formula C14H16Br2O4 and molecular weight 405.94 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
diethyl 4,6-bis(bromomethyl)benzene-1,3-dicarboxylate
Also Known As: diethyl 4,6-bis(bromomethyl)isophthalate, Diethyl 4,6-bis(bromomethyl)benzene-1,3-dicarboxylate, 4,6-Bis(bromomethyl)isophthalic acid diethyl ester, 1,3-Benzenedicarboxylic acid, 4,6-bis(bromomethyl)-, diethyl ester, 1,3-diethyl 4,6-bis(bromomethyl)benzene-1,3-dicarboxylate
| Molecular Formula | C14H16Br2O4 |
|---|---|
| Molecular Weight | 405.94 g/mol |
| LogP | 3.8298 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.94153 |
| Heavy Atoms | 20 |
| Complexity | 458.9424 |
Chemical Identifiers
| CAS Number | 140410-08-8 |
|---|---|
| SMILES | CCOC(=O)C1=CC(=C(C=C1CBr)CBr)C(=O)OCC |
Product Overview
Diethyl 4,6-bis(bromomethyl)isophthalate (CAS 140410-08-8), with molecular formula C14H16Br2O4 and molecular weight 405.94 g/mol. IUPAC: diethyl 4,6-bis(bromomethyl)benzene-1,3-dicarboxylate.
Chemical Property Profile of Diethyl 4,6-bis(bromomethyl)isophthalate
Property Insights of Diethyl 4,6-bis(bromomethyl)isophthalate
The XLogP value of 3.8298 indicates that Diethyl 4,6-bis(bromomethyl)isophthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Diethyl 4,6-bis(bromomethyl)isophthalate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl 4,6-bis(bromomethyl)isophthalate 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 Diethyl 4,6-bis(bromomethyl)isophthalate?
The CAS number of Diethyl 4,6-bis(bromomethyl)isophthalate is 140410-08-8.
What is the molecular formula of Diethyl 4,6-bis(bromomethyl)isophthalate?
The molecular formula of Diethyl 4,6-bis(bromomethyl)isophthalate is C14H16Br2O4.
What is the molecular weight of Diethyl 4,6-bis(bromomethyl)isophthalate?
The molecular weight of Diethyl 4,6-bis(bromomethyl)isophthalate is 405.94 g/mol.
Where can I buy Diethyl 4,6-bis(bromomethyl)isophthalate?
You can request a quote for Diethyl 4,6-bis(bromomethyl)isophthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl 4,6-bis(bromomethyl)isophthalate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl 4,6-bis(bromomethyl)isophthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.