Dimethyl 2,6-dibromoheptanedioate
TL;DR: Dimethyl 2,6-dibromoheptanedioate (CAS 868-73-5) is a chemical compound with molecular formula C9H14Br2O4 and molecular weight 343.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dimethyl 2,6-dibromoheptanedioate
Also Known As: Dimethyl 2,6-dibromoheptanedioate, 1,7-DIMETHYL 2,6-DIBROMOHEPTANEDIOATE, DIMETHYL2,6-DIBROMOHEPTANEDIOATE, 2,6-Dibromoheptanedioic acid dimethyl ester, 2,6-Dibromopimelic acid dimethyl ester
| Molecular Formula | C9H14Br2O4 |
|---|---|
| Molecular Weight | 343.93 g/mol |
| LogP | 2.7 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 343.92587 |
| Heavy Atoms | 15 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 868-73-5 |
|---|---|
| SMILES | COC(=O)C(CCCC(C(=O)OC)Br)Br |
| InChIKey | AWWJYEJSCIDADZ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Dimethyl 2,6-dibromoheptanedioate (CAS 868-73-5), with molecular formula C9H14Br2O4 and molecular weight 343.93 g/mol. IUPAC: dimethyl 2,6-dibromoheptanedioate.
Chemical Property Profile of Dimethyl 2,6-dibromoheptanedioate
Property Insights of Dimethyl 2,6-dibromoheptanedioate
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Dimethyl 2,6-dibromoheptanedioate. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2,6-dibromoheptanedioate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2,6-dibromoheptanedioate 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 Dimethyl 2,6-dibromoheptanedioate?
The CAS number of Dimethyl 2,6-dibromoheptanedioate is 868-73-5.
What is the molecular formula of Dimethyl 2,6-dibromoheptanedioate?
The molecular formula of Dimethyl 2,6-dibromoheptanedioate is C9H14Br2O4.
What is the molecular weight of Dimethyl 2,6-dibromoheptanedioate?
The molecular weight of Dimethyl 2,6-dibromoheptanedioate is 343.93 g/mol.
Where can I buy Dimethyl 2,6-dibromoheptanedioate?
You can request a quote for Dimethyl 2,6-dibromoheptanedioate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,6-dibromoheptanedioate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,6-dibromoheptanedioate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.