9R-1000
TL;DR: 9R-1000 (CAS 439121-27-4) is a chemical compound with molecular formula C24H23N5O4S and molecular weight 477.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-[[4-ethyl-5-[(6-oxo-1-phenylpyridazin-3-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate
Also Known As: 9R-1000, methyl 4-{[(4-ethyl-5-{[(6-oxo-1-phenyl-1,6-dihydro-3-pyridazinyl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzenecarboxylate, methyl 4-[[4-ethyl-5-[(6-oxo-1-phenylpyridazin-3-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate, methyl 4-{[(4-ethyl-5-{[(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate, methyl4-{[(4-ethyl-5-{[(6-oxo-1-phenyl-1,6-dihydropyridazin-3-yl)oxy]methyl}-4H-1,2,4-triazol-3-yl)sulfanyl]methyl}benzoate
| Molecular Formula | C24H23N5O4S |
|---|---|
| Molecular Weight | 477.15 g/mol |
| LogP | 3.5018 |
| Topological Polar Surface Area | 101.13 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 477.14706 |
| Heavy Atoms | 34 |
| Complexity | 1319.4552 |
Chemical Identifiers
| CAS Number | 439121-27-4 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC2=CC=C(C=C2)C(=O)OC)COC3=NN(C(=O)C=C3)C4=CC=CC=C4 |
Product Overview
9R-1000 (CAS 439121-27-4), with molecular formula C24H23N5O4S and molecular weight 477.15 g/mol. IUPAC: methyl 4-[[4-ethyl-5-[(6-oxo-1-phenylpyridazin-3-yl)oxymethyl]-1,2,4-triazol-3-yl]sulfanylmethyl]benzoate.
Chemical Property Profile of 9R-1000
Property Insights of 9R-1000
The XLogP value of 3.5018 indicates that 9R-1000 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.13 Ų falls within the moderate polarity range, balancing permeability and solubility for 9R-1000. Following Lipinski's Rule of Five, 9R-1000 has 0 hydrogen bond donor(s) and 8 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 9R-1000?
The CAS number of 9R-1000 is 439121-27-4.
What is the molecular formula of 9R-1000?
The molecular formula of 9R-1000 is C24H23N5O4S.
What is the molecular weight of 9R-1000?
The molecular weight of 9R-1000 is 477.15 g/mol.
Where can I buy 9R-1000?
You can request a quote for 9R-1000 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 9R-1000?
Yes, KEHONG BIO provides custom synthesis services for 9R-1000 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.