6N-806
TL;DR: 6N-806 (CAS 343374-95-8) is a chemical compound with molecular formula C18H12ClN3O4S and molecular weight 401.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[3-[(2-chlorophenyl)methyl]-5-cyano-2,4-dioxopyrimidin-1-yl]thiophene-3-carboxylate
Also Known As: 6N-806, methyl 2-[3-(2-chlorobenzyl)-5-cyano-2,4-dioxo-3,4-dihydro-1(2H)-pyrimidinyl]-3-thiophenecarboxylate, methyl 2-[3-[(2-chlorophenyl)methyl]-5-cyano-2,4-dioxopyrimidin-1-yl]thiophene-3-carboxylate, Methyl 2-(3-(2-chlorobenzyl)-5-cyano-2,4-dioxo-3,4-dihydropyrimidin-1(2H)-yl)thiophene-3-carboxylate, methyl 2-{3-[(2-chlorophenyl)methyl]-5-cyano-2,4-dioxo-1,2,3,4-tetrahydropyrimidin-1-yl}thiophene-3-carboxylate
| Molecular Formula | C18H12ClN3O4S |
|---|---|
| Molecular Weight | 401.02 g/mol |
| LogP | 2.42068 |
| Topological Polar Surface Area | 94.09 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 401.0237 |
| Heavy Atoms | 27 |
| Complexity | 1186.293 |
Chemical Identifiers
| CAS Number | 343374-95-8 |
|---|---|
| SMILES | COC(=O)C1=C(SC=C1)N2C=C(C(=O)N(C2=O)CC3=CC=CC=C3Cl)C#N |
Product Overview
6N-806 (CAS 343374-95-8), with molecular formula C18H12ClN3O4S and molecular weight 401.02 g/mol. IUPAC: methyl 2-[3-[(2-chlorophenyl)methyl]-5-cyano-2,4-dioxopyrimidin-1-yl]thiophene-3-carboxylate.
Chemical Property Profile of 6N-806
Property Insights of 6N-806
The XLogP value of 2.42068 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 6N-806. The TPSA of 94.09 Ų falls within the moderate polarity range, balancing permeability and solubility for 6N-806. Following Lipinski's Rule of Five, 6N-806 has 0 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 6N-806?
The CAS number of 6N-806 is 343374-95-8.
What is the molecular formula of 6N-806?
The molecular formula of 6N-806 is C18H12ClN3O4S.
What is the molecular weight of 6N-806?
The molecular weight of 6N-806 is 401.02 g/mol.
Where can I buy 6N-806?
You can request a quote for 6N-806 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 6N-806?
Yes, KEHONG BIO provides custom synthesis services for 6N-806 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.