Dimethyl 2,2',5,5'-tetrabromo-4,4'-bithiophene-3,3'-dicarboxylate
TL;DR: Dimethyl 2,2',5,5'-tetrabromo-4,4'-bithiophene-3,3'-dicarboxylate (CAS 53532-02-8) is a chemical compound with molecular formula C12H6Br4O4S2 and molecular weight 593.64 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2,5-dibromo-4-(2,5-dibromo-4-methoxycarbonylthiophen-3-yl)thiophene-3-carboxylate
Also Known As: dimethyl 2,2',5,5'-tetrabromo-4,4'-bithiophene-3,3'-dicarboxylate, AI-942/13331563, AI-942/13331564, methyl 2,5-dibromo-4-(2,5-dibromo-4-methoxycarbonylthiophen-3-yl)thiophene-3-carboxylate
| Molecular Formula | C12H6Br4O4S2 |
|---|---|
| Molecular Weight | 593.64 g/mol |
| LogP | 6.0998 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 593.6441 |
| Heavy Atoms | 22 |
| Complexity | 701.5047 |
Chemical Identifiers
| CAS Number | 53532-02-8 |
|---|---|
| SMILES | COC(=O)C1=C(SC(=C1C2=C(SC(=C2C(=O)OC)Br)Br)Br)Br |
Product Overview
Dimethyl 2,2',5,5'-tetrabromo-4,4'-bithiophene-3,3'-dicarboxylate (CAS 53532-02-8), with molecular formula C12H6Br4O4S2 and molecular weight 593.64 g/mol. IUPAC: methyl 2,5-dibromo-4-(2,5-dibromo-4-methoxycarbonylthiophen-3-yl)thiophene-3-carboxylate.
Chemical Property Profile of Dimethyl 2,2',5,5'-tetrabromo-4,4'-bithiophene-3,3'-dicarboxylate
Property Insights of Dimethyl 2,2',5,5'-tetrabromo-4,4'-bithiophene-3,3'-dicarboxylate
The XLogP value of 6.0998 indicates that Dimethyl 2,2',5,5'-tetrabromo-4,4'-bithiophene-3,3'-dicarboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, Dimethyl 2,2',5,5'-tetrabromo-4,4'-bithiophene-3,3'-dicarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dimethyl 2,2',5,5'-tetrabromo-4,4'-bithiophene-3,3'-dicarboxylate has 0 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dimethyl 2,2',5,5'-tetrabromo-4,4'-bithiophene-3,3'-dicarboxylate?
The CAS number of Dimethyl 2,2',5,5'-tetrabromo-4,4'-bithiophene-3,3'-dicarboxylate is 53532-02-8.
What is the molecular formula of Dimethyl 2,2',5,5'-tetrabromo-4,4'-bithiophene-3,3'-dicarboxylate?
The molecular formula of Dimethyl 2,2',5,5'-tetrabromo-4,4'-bithiophene-3,3'-dicarboxylate is C12H6Br4O4S2.
What is the molecular weight of Dimethyl 2,2',5,5'-tetrabromo-4,4'-bithiophene-3,3'-dicarboxylate?
The molecular weight of Dimethyl 2,2',5,5'-tetrabromo-4,4'-bithiophene-3,3'-dicarboxylate is 593.64 g/mol.
Where can I buy Dimethyl 2,2',5,5'-tetrabromo-4,4'-bithiophene-3,3'-dicarboxylate?
You can request a quote for Dimethyl 2,2',5,5'-tetrabromo-4,4'-bithiophene-3,3'-dicarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dimethyl 2,2',5,5'-tetrabromo-4,4'-bithiophene-3,3'-dicarboxylate?
Yes, KEHONG BIO provides custom synthesis services for Dimethyl 2,2',5,5'-tetrabromo-4,4'-bithiophene-3,3'-dicarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.