6X-0857
TL;DR: 6X-0857 (CAS 1190013-14-9) is a chemical compound with molecular formula C21H19N3O5S and molecular weight 425.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-hydroxy-5-[[5-methoxy-1-(thiophene-2-carbonyl)indol-3-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione
Also Known As: 6X-0857, 6-hydroxy-5-{[5-methoxy-1-(2-thienylcarbonyl)-1H-indol-3-yl]methyl}-1,3-dimethyl-2,4(1H,3H)-pyrimidinedione, 6-hydroxy-5-[[5-methoxy-1-(thiophene-2-carbonyl)indol-3-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione, 6-hydroxy-5-{[5-methoxy-1-(thiophene-2-carbonyl)-1H-indol-3-yl]methyl}-1,3-dimethyl-1,2,3,4-tetrahydropyrimidine-2,4-dione
| Molecular Formula | C21H19N3O5S |
|---|---|
| Molecular Weight | 425.10 g/mol |
| LogP | 2.0937 |
| Topological Polar Surface Area | 95.46 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 425.10455 |
| Heavy Atoms | 30 |
| Complexity | 1393.0188 |
Chemical Identifiers
| CAS Number | 1190013-14-9 |
|---|---|
| SMILES | CN1C(=C(C(=O)N(C1=O)C)CC2=CN(C3=C2C=C(C=C3)OC)C(=O)C4=CC=CS4)O |
Product Overview
6X-0857 (CAS 1190013-14-9), with molecular formula C21H19N3O5S and molecular weight 425.10 g/mol. IUPAC: 6-hydroxy-5-[[5-methoxy-1-(thiophene-2-carbonyl)indol-3-yl]methyl]-1,3-dimethylpyrimidine-2,4-dione.
Chemical Property Profile of 6X-0857
Property Insights of 6X-0857
The XLogP value of 2.0937 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6X-0857. The TPSA of 95.46 Ų falls within the moderate polarity range, balancing permeability and solubility for 6X-0857. Following Lipinski's Rule of Five, 6X-0857 has 1 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 6X-0857?
The CAS number of 6X-0857 is 1190013-14-9.
What is the molecular formula of 6X-0857?
The molecular formula of 6X-0857 is C21H19N3O5S.
What is the molecular weight of 6X-0857?
The molecular weight of 6X-0857 is 425.10 g/mol.
Where can I buy 6X-0857?
You can request a quote for 6X-0857 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6X-0857?
Yes, KEHONG BIO provides custom synthesis services for 6X-0857 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.