Bis(2-bromoethyl) butanedioate
TL;DR: Bis(2-bromoethyl) butanedioate (CAS 90085-84-0) is a chemical compound with molecular formula C8H12Br2O4 and molecular weight 329.91 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
bis(2-bromoethyl) butanedioate
Also Known As: bis(2-bromoethyl) butanedioate, Bernsteinsaeure-bis-<2-bromethyl>-ester
| Molecular Formula | C8H12Br2O4 |
|---|---|
| Molecular Weight | 329.91 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 9 |
| Exact Mass | 329.91022 |
| Heavy Atoms | 14 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 90085-84-0 |
|---|---|
| SMILES | C(CC(=O)OCCBr)C(=O)OCCBr |
| InChIKey | DSOPUQZZMOTWDF-UHFFFAOYSA-N |
Product Overview
Bis(2-bromoethyl) butanedioate (CAS 90085-84-0), with molecular formula C8H12Br2O4 and molecular weight 329.91 g/mol. IUPAC: bis(2-bromoethyl) butanedioate.
Chemical Property Profile of Bis(2-bromoethyl) butanedioate
Property Insights of Bis(2-bromoethyl) butanedioate
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Bis(2-bromoethyl) butanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Bis(2-bromoethyl) butanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Bis(2-bromoethyl) butanedioate 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 Bis(2-bromoethyl) butanedioate?
The CAS number of Bis(2-bromoethyl) butanedioate is 90085-84-0.
What is the molecular formula of Bis(2-bromoethyl) butanedioate?
The molecular formula of Bis(2-bromoethyl) butanedioate is C8H12Br2O4.
What is the molecular weight of Bis(2-bromoethyl) butanedioate?
The molecular weight of Bis(2-bromoethyl) butanedioate is 329.91 g/mol.
Where can I buy Bis(2-bromoethyl) butanedioate?
You can request a quote for Bis(2-bromoethyl) butanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Bis(2-bromoethyl) butanedioate?
Yes, KEHONG BIO provides custom synthesis services for Bis(2-bromoethyl) butanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.