C20H26N6S3.2BrH
TL;DR: C20H26N6S3.2BrH (CAS 108772-83-4) is a chemical compound with molecular formula C20H28Br2N6S3 and molecular weight 605.9904 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
2-[4-[5-[2-[2-(dimethylamino)ethylsulfanyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-2-yl]sulfanyl-N,N-dimethylethanamine;dihydrobromide
Also Known As: 2,2'-(2,5-Thiophenediylbis(4,2-pyrimidinediylthio))bis(N,N-dimethylethanamine) dihydrobromide, Ethanamine, 2,2'-(2,5-thiophenediylbis(4,2-pyrimidinediylthio))bis(N,N-dimethyl-, dihydrobromide, 2,2'-[Thiophene-2,5-diylbis(pyrimidine-4,2-diylsulfanediyl)]bis(N,N-dimethylethan-1-amine)--hydrogen bromide (1/2), 2,2'-{Thiene-2,5-diylbis[(pyrimidine-4,2-diyl)sulfanediyl]}bis(N,N-dimethylethan-1-amine)--hydrogen bromide (1/2), 2-[4-[5-[2-(2-dimethylaminoethylsulfanyl)pyrimidin-4-yl]thiophen-2-yl]pyrimidin-2-yl]sulfanyl-N,N-dimethylethanamine dihydrobromide
Technical Specifications
| Molecular Formula | C20H28Br2N6S3 |
| Molecular Weight | 605.9904 g/mol |
| XLogP | 5.1253 |
| Topological Polar Surface Area (TPSA) | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 605.9904 Da |
| Heavy Atoms | 31 |
| Complexity | 429.0 |
| SMILES | CN(C)CCSC1=NC=CC(=N1)C2=CC=C(S2)C3=NC(=NC=C3)SCCN(C)C.Br.Br |
| InChIKey | UIPRAELKQPCOKY-UHFFFAOYSA-N |
Chemical Property Profile of C20H26N6S3.2BrH
Property Insights of C20H26N6S3.2BrH
The XLogP value of 5.1253 indicates that C20H26N6S3.2BrH is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 137.0 Ų falls within the moderate polarity range, balancing permeability and solubility for C20H26N6S3.2BrH. Following Lipinski's Rule of Five, C20H26N6S3.2BrH has 2 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
What is the CAS number of C20H26N6S3.2BrH?
The CAS number of C20H26N6S3.2BrH is 108772-83-4.
What is the molecular formula of C20H26N6S3.2BrH?
The molecular formula of C20H26N6S3.2BrH is C20H28Br2N6S3.
What is the molecular weight of C20H26N6S3.2BrH?
The molecular weight of C20H26N6S3.2BrH is 605.9904 g/mol.
Where can I buy C20H26N6S3.2BrH?
You can request a quote for C20H26N6S3.2BrH directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for C20H26N6S3.2BrH?
Yes, CoreyChem provides custom synthesis services for C20H26N6S3.2BrH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.