RefChem:862920
TL;DR: RefChem:862920 (CAS 68957-49-3) is a chemical compound with molecular formula C10H19ClN3O3PS and molecular weight 327.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(1-tert-butyl-5-chloro-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane
Also Known As: Phosphorothioic acid, O-[5-chloro-1-(1,1-dimethylethyl)-1H-1,2,4-triazol-3-yl] O,O-diethyl ester, O-(1-(tert-Butyl)-5-chloro-1H-1,2,4-triazol-3-yl) O,O-diethyl thiophosphate, O-(5-Chloro-1-(1-tert-butyl)-1H-1,2,4-triazol-3-yl)-O,O-diethyl phosphorothioate, Phosphorothioic acid, O-(5-chloro-1-(1,1-dimethylethyl)-1H-1,2,4-triazol-3-yl) O,O-diethyl ester, (1-tert-butyl-5-chloro-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-
| Molecular Formula | C10H19ClN3O3PS |
|---|---|
| Molecular Weight | 327.06 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 90.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 327.05734 |
| Heavy Atoms | 19 |
| Complexity | 332.0 |
Chemical Identifiers
| CAS Number | 68957-49-3 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NN(C(=N1)Cl)C(C)(C)C |
| InChIKey | MBMDOOLFVVYKFT-UHFFFAOYSA-N |
Product Overview
RefChem:862920 (CAS 68957-49-3), with molecular formula C10H19ClN3O3PS and molecular weight 327.06 g/mol. IUPAC: (1-tert-butyl-5-chloro-1,2,4-triazol-3-yl)oxy-diethoxy-sulfanylidene-λ5-phosphane.
Chemical Property Profile of RefChem:862920
Property Insights of RefChem:862920
The XLogP value of 4.1 indicates that RefChem:862920 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 90.5 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:862920. Following Lipinski's Rule of Five, RefChem:862920 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 RefChem:862920?
The CAS number of RefChem:862920 is 68957-49-3.
What is the molecular formula of RefChem:862920?
The molecular formula of RefChem:862920 is C10H19ClN3O3PS.
What is the molecular weight of RefChem:862920?
The molecular weight of RefChem:862920 is 327.06 g/mol.
Where can I buy RefChem:862920?
You can request a quote for RefChem:862920 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:862920?
Yes, KEHONG BIO provides custom synthesis services for RefChem:862920 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.