Butanedioic acid, 2,3-dibromo-, 1,4-dimethyl ester
TL;DR: Butanedioic acid, 2,3-dibromo-, 1,4-dimethyl ester (CAS 1186-98-7) is a chemical compound with molecular formula C6H8Br2O4 and molecular weight 301.87894 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
dimethyl 2,3-dibromobutanedioate
Also Known As: Dimethyl 2,3-dibromosuccinate, dimethyl 2,3-dibromobutanedioate, Dimethyl 2,3-Dibromo-1,4-butanedioate, TL 127, dimethyl 2,3-dibromobutane-1,4-dioate
Application Areas
Top 5 of 4 IPC patent classification(s) from the SureChEMBL global patent database.
Technical Specifications
| Molecular Formula | C6H8Br2O4 |
| Molecular Weight | 301.87894 g/mol |
| XLogP | 1.7 |
| Topological Polar Surface Area (TPSA) | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 303.8769 Da |
| Heavy Atoms | 12 |
| Complexity | 162.0 |
| SMILES | COC(=O)C(C(C(=O)OC)Br)Br |
| InChIKey | XQBOXCHKENCESQ-UHFFFAOYSA-N |
Chemical Property Profile of Butanedioic acid, 2,3-dibromo-, 1,4-dimethyl ester
Property Insights of Butanedioic acid, 2,3-dibromo-, 1,4-dimethyl ester
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Butanedioic acid, 2,3-dibromo-, 1,4-dimethyl ester. With a topological polar surface area (TPSA) of 52.6 Ų, Butanedioic acid, 2,3-dibromo-, 1,4-dimethyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Butanedioic acid, 2,3-dibromo-, 1,4-dimethyl 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
What is the CAS number of Butanedioic acid, 2,3-dibromo-, 1,4-dimethyl ester?
The CAS number of Butanedioic acid, 2,3-dibromo-, 1,4-dimethyl ester is 1186-98-7.
What is the molecular formula of Butanedioic acid, 2,3-dibromo-, 1,4-dimethyl ester?
The molecular formula of Butanedioic acid, 2,3-dibromo-, 1,4-dimethyl ester is C6H8Br2O4.
What is the molecular weight of Butanedioic acid, 2,3-dibromo-, 1,4-dimethyl ester?
The molecular weight of Butanedioic acid, 2,3-dibromo-, 1,4-dimethyl ester is 301.87894 g/mol.
Where can I buy Butanedioic acid, 2,3-dibromo-, 1,4-dimethyl ester?
You can request a quote for Butanedioic acid, 2,3-dibromo-, 1,4-dimethyl ester directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for Butanedioic acid, 2,3-dibromo-, 1,4-dimethyl ester?
Yes, CoreyChem provides custom synthesis services for Butanedioic acid, 2,3-dibromo-, 1,4-dimethyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.