7H-011
TL;DR: 7H-011 (CAS 339011-87-9) is a chemical compound with molecular formula C16H16N6O4S2 and molecular weight 420.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[6-(5-methoxycarbonyl-1-methylimidazol-2-yl)sulfanylpyridazin-3-yl]sulfanyl-3-methylimidazole-4-carboxylate
Also Known As: 7H-011, Methyl 2-((6-((5-(methoxycarbonyl)-1-methyl-1H-imidazol-2-yl)sulfanyl)-3-pyridazinyl)sulfanyl)-1-methyl-1H-imidazole-5-carboxylate, methyl 2-[6-(5-methoxycarbonyl-1-methylimidazol-2-yl)sulfanylpyridazin-3-yl]sulfanyl-3-methylimidazole-4-carboxylate, dimethyl 2,2'-(pyridazine-3,6-diylbis(sulfanediyl))bis(1-methyl-1H-imidazole-5-carboxylate), methyl 2-[(6-{[5-(methoxycarbonyl)-1-methyl-1H-imidazol-2-yl]sulfanyl}-3-pyridazinyl)sulfanyl]-1-methyl-1H-imidazole-5-carboxylate
| Molecular Formula | C16H16N6O4S2 |
|---|---|
| Molecular Weight | 420.07 g/mol |
| LogP | 1.8192 |
| Topological Polar Surface Area | 114.02 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 6 |
| Exact Mass | 420.06744 |
| Heavy Atoms | 28 |
| Complexity | 933.56854 |
Chemical Identifiers
| CAS Number | 339011-87-9 |
|---|---|
| SMILES | CN1C(=CN=C1SC2=NN=C(C=C2)SC3=NC=C(N3C)C(=O)OC)C(=O)OC |
Product Overview
7H-011 (CAS 339011-87-9), with molecular formula C16H16N6O4S2 and molecular weight 420.07 g/mol. IUPAC: methyl 2-[6-(5-methoxycarbonyl-1-methylimidazol-2-yl)sulfanylpyridazin-3-yl]sulfanyl-3-methylimidazole-4-carboxylate.
Chemical Property Profile of 7H-011
Property Insights of 7H-011
The XLogP value of 1.8192 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7H-011. The TPSA of 114.02 Ų falls within the moderate polarity range, balancing permeability and solubility for 7H-011. Following Lipinski's Rule of Five, 7H-011 has 0 hydrogen bond donor(s) and 10 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 7H-011?
The CAS number of 7H-011 is 339011-87-9.
What is the molecular formula of 7H-011?
The molecular formula of 7H-011 is C16H16N6O4S2.
What is the molecular weight of 7H-011?
The molecular weight of 7H-011 is 420.07 g/mol.
Where can I buy 7H-011?
You can request a quote for 7H-011 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7H-011?
Yes, KEHONG BIO provides custom synthesis services for 7H-011 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.