RefChem:371418
TL;DR: RefChem:371418 (CAS 53605-09-7) is a chemical compound with molecular formula C14H16ClN2O3PS2 and molecular weight 390.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[6-(4-chlorophenyl)sulfanylpyridazin-3-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: Phosphorothioic acid, O-(6-((4-chlorophenyl)thio)-3-pyridazinyl) O,O-diethyl ester, O-(6-((4-Chlorophenyl)thio)-3-pyridazinyl) O,O-diethyl phosphorothioate, [6-(4-chlorophenyl)sulfanylpyridazin-3-yl]oxy-diethoxy-sulfanylidene-, O-{6-[(4-Chlorophenyl)sulfanyl]pyridazin-3-yl} O,O-diethyl phosphorothioate, BRN 0843725
| Molecular Formula | C14H16ClN2O3PS2 |
|---|---|
| Molecular Weight | 390.00 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 111.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 390.00284 |
| Heavy Atoms | 23 |
| Complexity | 390.0 |
Chemical Identifiers
| CAS Number | 53605-09-7 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NN=C(C=C1)SC2=CC=C(C=C2)Cl |
| InChIKey | SBXMUQIKUUSSMT-UHFFFAOYSA-N |
Product Overview
RefChem:371418 (CAS 53605-09-7), with molecular formula C14H16ClN2O3PS2 and molecular weight 390.00 g/mol. IUPAC: [6-(4-chlorophenyl)sulfanylpyridazin-3-yl]oxy-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of RefChem:371418
Property Insights of RefChem:371418
The XLogP value of 5.1 indicates that RefChem:371418 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 111.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:371418. Following Lipinski's Rule of Five, RefChem:371418 has 0 hydrogen bond donor(s) and 7 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:371418?
The CAS number of RefChem:371418 is 53605-09-7.
What is the molecular formula of RefChem:371418?
The molecular formula of RefChem:371418 is C14H16ClN2O3PS2.
What is the molecular weight of RefChem:371418?
The molecular weight of RefChem:371418 is 390.00 g/mol.
Where can I buy RefChem:371418?
You can request a quote for RefChem:371418 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:371418?
Yes, KEHONG BIO provides custom synthesis services for RefChem:371418 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.