3,4-Dibromo-2,5-ditert-butylthiophene
TL;DR: 3,4-Dibromo-2,5-ditert-butylthiophene (CAS 40196-79-0) is a chemical compound with molecular formula C12H18Br2S and molecular weight 351.95 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-dibromo-2,5-ditert-butylthiophene
Also Known As: 3,4-dibromo-2,5-ditert-butylthiophene, 3,4-dibromo-2,5-di-tert-butylthiophene, AI-942/13331761
| Molecular Formula | C12H18Br2S |
|---|---|
| Molecular Weight | 351.95 g/mol |
| LogP | 5.8681 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 0 |
| Exact Mass | 351.9496 |
| Heavy Atoms | 15 |
| Complexity | 329.69943 |
Chemical Identifiers
| CAS Number | 40196-79-0 |
|---|---|
| SMILES | CC(C)(C)C1=C(C(=C(S1)C(C)(C)C)Br)Br |
Product Overview
3,4-Dibromo-2,5-ditert-butylthiophene (CAS 40196-79-0), with molecular formula C12H18Br2S and molecular weight 351.95 g/mol. IUPAC: 3,4-dibromo-2,5-ditert-butylthiophene.
Chemical Property Profile of 3,4-Dibromo-2,5-ditert-butylthiophene
Property Insights of 3,4-Dibromo-2,5-ditert-butylthiophene
The XLogP value of 5.8681 indicates that 3,4-Dibromo-2,5-ditert-butylthiophene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 3,4-Dibromo-2,5-ditert-butylthiophene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-Dibromo-2,5-ditert-butylthiophene has 0 hydrogen bond donor(s) and 1 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3,4-Dibromo-2,5-ditert-butylthiophene?
The CAS number of 3,4-Dibromo-2,5-ditert-butylthiophene is 40196-79-0.
What is the molecular formula of 3,4-Dibromo-2,5-ditert-butylthiophene?
The molecular formula of 3,4-Dibromo-2,5-ditert-butylthiophene is C12H18Br2S.
What is the molecular weight of 3,4-Dibromo-2,5-ditert-butylthiophene?
The molecular weight of 3,4-Dibromo-2,5-ditert-butylthiophene is 351.95 g/mol.
Where can I buy 3,4-Dibromo-2,5-ditert-butylthiophene?
You can request a quote for 3,4-Dibromo-2,5-ditert-butylthiophene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dibromo-2,5-ditert-butylthiophene?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dibromo-2,5-ditert-butylthiophene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.