4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)tris(n,n-dimethylaniline)
TL;DR: 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)tris(n,n-dimethylaniline) (CAS 641-17-8) is a chemical compound with molecular formula C27H33N3S3 and molecular weight 495.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-[4,6-bis[4-(dimethylamino)phenyl]-1,3,5-trithian-2-yl]-N,N-dimethylaniline
Also Known As: 4,4',4''-(1,3,5-trithiane-2,4,6-triyl)tris(n,n-dimethylaniline), 4-[4,6-bis[4-(dimethylamino)phenyl]-1,3,5-trithian-2-yl]-N,N, Benzenamine, 4,4',4''-(1,3,5-trithiane-2,4,6-triyl)tris[N,N-dimethyl-, Benzenamine,4',4''-(1,3,5-trithiane-2,4,6-triyl)tris[N,N-dimethyl-, 4-[4,6-bis(4-dimethylaminophenyl)-1,3,5-trithian-2-yl]-N,N-dimethylaniline
| Molecular Formula | C27H33N3S3 |
|---|---|
| Molecular Weight | 495.18 g/mol |
| LogP | 7.2 |
| Topological Polar Surface Area | 85.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 6 |
| Exact Mass | 495.18365 |
| Heavy Atoms | 33 |
| Complexity | 484.0 |
Chemical Identifiers
| CAS Number | 641-17-8 |
|---|---|
| SMILES | CN(C)C1=CC=C(C=C1)C2SC(SC(S2)C3=CC=C(C=C3)N(C)C)C4=CC=C(C=C4)N(C)C |
| InChIKey | NPCRNEBMNXVNRG-UHFFFAOYSA-N |
Product Overview
4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)tris(n,n-dimethylaniline) (CAS 641-17-8), with molecular formula C27H33N3S3 and molecular weight 495.18 g/mol. IUPAC: 4-[4,6-bis[4-(dimethylamino)phenyl]-1,3,5-trithian-2-yl]-N,N-dimethylaniline.
Chemical Property Profile of 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)tris(n,n-dimethylaniline)
Property Insights of 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)tris(n,n-dimethylaniline)
The XLogP value of 7.2 indicates that 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)tris(n,n-dimethylaniline) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 85.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)tris(n,n-dimethylaniline). Following Lipinski's Rule of Five, 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)tris(n,n-dimethylaniline) 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 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)tris(n,n-dimethylaniline)?
The CAS number of 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)tris(n,n-dimethylaniline) is 641-17-8.
What is the molecular formula of 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)tris(n,n-dimethylaniline)?
The molecular formula of 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)tris(n,n-dimethylaniline) is C27H33N3S3.
What is the molecular weight of 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)tris(n,n-dimethylaniline)?
The molecular weight of 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)tris(n,n-dimethylaniline) is 495.18 g/mol.
Where can I buy 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)tris(n,n-dimethylaniline)?
You can request a quote for 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)tris(n,n-dimethylaniline) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)tris(n,n-dimethylaniline)?
Yes, KEHONG BIO provides custom synthesis services for 4,4',4''-(1,3,5-Trithiane-2,4,6-triyl)tris(n,n-dimethylaniline) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.