C20H26N6S3.2BrH
TL;DR: C20H26N6S3.2BrH (CAS 108772-83-4) is a chemical compound with molecular formula C20H28Br2N6S3 and molecular weight 605.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
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
| Molecular Formula | C20H28Br2N6S3 |
|---|---|
| Molecular Weight | 605.99 g/mol |
| LogP | 5.1253 |
| Topological Polar Surface Area | 137.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 10 |
| Exact Mass | 605.9904 |
| Heavy Atoms | 31 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 108772-83-4 |
|---|---|
| SMILES | CN(C)CCSC1=NC=CC(=N1)C2=CC=C(S2)C3=NC(=NC=C3)SCCN(C)C.Br.Br |
| InChIKey | UIPRAELKQPCOKY-UHFFFAOYSA-N |
Product Overview
C20H26N6S3.2BrH (CAS 108772-83-4), with molecular formula C20H28Br2N6S3 and molecular weight 605.99 g/mol. IUPAC: 2-[4-[5-[2-[2-(dimethylamino)ethylsulfanyl]pyrimidin-4-yl]thiophen-2-yl]pyrimidin-2-yl]sulfanyl-N,N-dimethylethanamine;dihydrobromide.
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
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 605.99 g/mol.
Where can I buy C20H26N6S3.2BrH?
You can request a quote for C20H26N6S3.2BrH directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for C20H26N6S3.2BrH?
Yes, KEHONG BIO provides custom synthesis services for C20H26N6S3.2BrH and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.