Dibutyl 2,3-dibromobutanedioate
TL;DR: Dibutyl 2,3-dibromobutanedioate (CAS 2050-55-7) is a chemical compound with molecular formula C12H20Br2O4 and molecular weight 385.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dibutyl 2,3-dibromobutanedioate
Also Known As: dibutyl 2,3-dibromobutanedioate, NCIOpen2_007415, dibutyl ester of/the/ racemic 2,3-dibromo-succinic acid
| Molecular Formula | C12H20Br2O4 |
|---|---|
| Molecular Weight | 385.97 g/mol |
| LogP | 4.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 385.97284 |
| Heavy Atoms | 18 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 2050-55-7 |
|---|---|
| SMILES | CCCCOC(=O)C(C(C(=O)OCCCC)Br)Br |
| InChIKey | WOHNIDNINFYOAI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dibutyl 2,3-dibromobutanedioate (CAS 2050-55-7), with molecular formula C12H20Br2O4 and molecular weight 385.97 g/mol. IUPAC: dibutyl 2,3-dibromobutanedioate.
Chemical Property Profile of Dibutyl 2,3-dibromobutanedioate
Property Insights of Dibutyl 2,3-dibromobutanedioate
The XLogP value of 4.2 indicates that Dibutyl 2,3-dibromobutanedioate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dibutyl 2,3-dibromobutanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dibutyl 2,3-dibromobutanedioate 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 Dibutyl 2,3-dibromobutanedioate?
The CAS number of Dibutyl 2,3-dibromobutanedioate is 2050-55-7.
What is the molecular formula of Dibutyl 2,3-dibromobutanedioate?
The molecular formula of Dibutyl 2,3-dibromobutanedioate is C12H20Br2O4.
What is the molecular weight of Dibutyl 2,3-dibromobutanedioate?
The molecular weight of Dibutyl 2,3-dibromobutanedioate is 385.97 g/mol.
Where can I buy Dibutyl 2,3-dibromobutanedioate?
You can request a quote for Dibutyl 2,3-dibromobutanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dibutyl 2,3-dibromobutanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dibutyl 2,3-dibromobutanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.