2,3',3''-SEtNMe2-4,6-diPh-Pyr
TL;DR: 2,3',3''-SEtNMe2-4,6-diPh-Pyr (CAS 131407-80-2) is a chemical compound with molecular formula C28H39N5S3 and molecular weight 541.24 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[2-[2-(dimethylamino)ethylsulfanyl]-6-[3-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine
Also Known As: 2,3',3''-SEtNMe2-4,6-diPh-Pyr, NCI60_005677, 2-((2''-(Dimethylamino)ethyl)thio)-4,6-bis(3'-((2'''-(dimethylamino)ethyl)thio)phenyl)pyrimidine trihydrobromide, Ethanamine, 2,2'-((2-((2-(dimethylamino)ethyl)thio)-4,6-pyrimidinediyl)bis(3,1-phenylenethio))bis(N,N-dimethyl-, 2-(2-Dimethylaminoethylthio)-4,6-bis[3-(2-dimethylaminoethylthio)phenyl]pyrimidine
| Molecular Formula | C28H39N5S3 |
|---|---|
| Molecular Weight | 541.24 g/mol |
| LogP | 5.5 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 14 |
| Exact Mass | 541.23676 |
| Heavy Atoms | 36 |
| Complexity | 552.0 |
Chemical Identifiers
| CAS Number | 131407-80-2 |
|---|---|
| SMILES | CN(C)CCSC1=CC=CC(=C1)C2=CC(=NC(=N2)SCCN(C)C)C3=CC(=CC=C3)SCCN(C)C |
| InChIKey | SBSYEFHUQYUCED-UHFFFAOYSA-N |
Product Overview
2,3',3''-SEtNMe2-4,6-diPh-Pyr (CAS 131407-80-2), with molecular formula C28H39N5S3 and molecular weight 541.24 g/mol. IUPAC: 2-[3-[2-[2-(dimethylamino)ethylsulfanyl]-6-[3-[2-(dimethylamino)ethylsulfanyl]phenyl]pyrimidin-4-yl]phenyl]sulfanyl-N,N-dimethylethanamine.
Chemical Property Profile of 2,3',3''-SEtNMe2-4,6-diPh-Pyr
Property Insights of 2,3',3''-SEtNMe2-4,6-diPh-Pyr
The XLogP value of 5.5 indicates that 2,3',3''-SEtNMe2-4,6-diPh-Pyr is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 2,3',3''-SEtNMe2-4,6-diPh-Pyr. Following Lipinski's Rule of Five, 2,3',3''-SEtNMe2-4,6-diPh-Pyr has 0 hydrogen bond donor(s) and 8 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 2,3',3''-SEtNMe2-4,6-diPh-Pyr?
The CAS number of 2,3',3''-SEtNMe2-4,6-diPh-Pyr is 131407-80-2.
What is the molecular formula of 2,3',3''-SEtNMe2-4,6-diPh-Pyr?
The molecular formula of 2,3',3''-SEtNMe2-4,6-diPh-Pyr is C28H39N5S3.
What is the molecular weight of 2,3',3''-SEtNMe2-4,6-diPh-Pyr?
The molecular weight of 2,3',3''-SEtNMe2-4,6-diPh-Pyr is 541.24 g/mol.
Where can I buy 2,3',3''-SEtNMe2-4,6-diPh-Pyr?
You can request a quote for 2,3',3''-SEtNMe2-4,6-diPh-Pyr directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,3',3''-SEtNMe2-4,6-diPh-Pyr?
Yes, KEHONG BIO provides custom synthesis services for 2,3',3''-SEtNMe2-4,6-diPh-Pyr and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.