6R-1172
TL;DR: 6R-1172 (CAS 478065-46-2) is a chemical compound with molecular formula C20H16Cl3N3O5S2 and molecular weight 546.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 2-methylsulfanyl-4-[3-[(2,4,5-trichlorophenyl)sulfonylamino]phenoxy]pyrimidine-5-carboxylate
Also Known As: 6R-1172, ethyl 2-(methylsulfanyl)-4-(3-{[(2,4,5-trichlorophenyl)sulfonyl]amino}phenoxy)-5-pyrimidinecarboxylate, ethyl 2-methylsulfanyl-4-[3-[(2,4,5-trichlorophenyl)sulfonylamino]phenoxy]pyrimidine-5-carboxylate, ethyl 2-(methylsulfanyl)-4-[3-(2,4,5-trichlorobenzenesulfonamido)phenoxy]pyrimidine-5-carboxylate, ethyl2-(methylsulfanyl)-4-[3-(2,4,5-trichlorobenzenesulfonamido)phenoxy]pyrimidine-5-carboxylate
| Molecular Formula | C20H16Cl3N3O5S2 |
|---|---|
| Molecular Weight | 546.96 g/mol |
| LogP | 5.9285 |
| Topological Polar Surface Area | 107.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 546.9597 |
| Heavy Atoms | 33 |
| Complexity | 1306.098 |
Chemical Identifiers
| CAS Number | 478065-46-2 |
|---|---|
| SMILES | CCOC(=O)C1=CN=C(N=C1OC2=CC=CC(=C2)NS(=O)(=O)C3=CC(=C(C=C3Cl)Cl)Cl)SC |
Product Overview
6R-1172 (CAS 478065-46-2), with molecular formula C20H16Cl3N3O5S2 and molecular weight 546.96 g/mol. IUPAC: ethyl 2-methylsulfanyl-4-[3-[(2,4,5-trichlorophenyl)sulfonylamino]phenoxy]pyrimidine-5-carboxylate.
Chemical Property Profile of 6R-1172
Property Insights of 6R-1172
The XLogP value of 5.9285 indicates that 6R-1172 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.48 Ų falls within the moderate polarity range, balancing permeability and solubility for 6R-1172. Following Lipinski's Rule of Five, 6R-1172 has 1 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 6R-1172?
The CAS number of 6R-1172 is 478065-46-2.
What is the molecular formula of 6R-1172?
The molecular formula of 6R-1172 is C20H16Cl3N3O5S2.
What is the molecular weight of 6R-1172?
The molecular weight of 6R-1172 is 546.96 g/mol.
Where can I buy 6R-1172?
You can request a quote for 6R-1172 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6R-1172?
Yes, KEHONG BIO provides custom synthesis services for 6R-1172 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.