7P-645S
TL;DR: 7P-645S (CAS 478077-62-2) is a chemical compound with molecular formula C17H16ClN5O3S and molecular weight 405.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 2-[[5-[1-(4-chlorophenyl)-4-oxopyridazin-3-yl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate
Also Known As: 7P-645S, methyl 2-({5-[1-(4-chlorophenyl)-4-oxo-1,4-dihydro-3-pyridazinyl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate, methyl 2-[[5-[1-(4-chlorophenyl)-4-oxopyridazin-3-yl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate, methyl 2-({5-[1-(4-chlorophenyl)-4-oxo-1,4-dihydropyridazin-3-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate, methyl2-({5-[1-(4-chlorophenyl)-4-oxo-1,4-dihydropyridazin-3-yl]-4-ethyl-4H-1,2,4-triazol-3-yl}sulfanyl)acetate
| Molecular Formula | C17H16ClN5O3S |
|---|---|
| Molecular Weight | 405.07 g/mol |
| LogP | 2.4294 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 405.06622 |
| Heavy Atoms | 27 |
| Complexity | 1016.1535 |
Chemical Identifiers
| CAS Number | 478077-62-2 |
|---|---|
| SMILES | CCN1C(=NN=C1SCC(=O)OC)C2=NN(C=CC2=O)C3=CC=C(C=C3)Cl |
Product Overview
7P-645S (CAS 478077-62-2), with molecular formula C17H16ClN5O3S and molecular weight 405.07 g/mol. IUPAC: methyl 2-[[5-[1-(4-chlorophenyl)-4-oxopyridazin-3-yl]-4-ethyl-1,2,4-triazol-3-yl]sulfanyl]acetate.
Chemical Property Profile of 7P-645S
Property Insights of 7P-645S
The XLogP value of 2.4294 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 7P-645S. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 7P-645S. Following Lipinski's Rule of Five, 7P-645S has 0 hydrogen bond donor(s) and 7 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 7P-645S?
The CAS number of 7P-645S is 478077-62-2.
What is the molecular formula of 7P-645S?
The molecular formula of 7P-645S is C17H16ClN5O3S.
What is the molecular weight of 7P-645S?
The molecular weight of 7P-645S is 405.07 g/mol.
Where can I buy 7P-645S?
You can request a quote for 7P-645S directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 7P-645S?
Yes, KEHONG BIO provides custom synthesis services for 7P-645S and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.