RefChem:303621
TL;DR: RefChem:303621 (CAS 18853-27-5) is a chemical compound with molecular formula C9H14NO6PS and molecular weight 295.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-diethoxyphosphinothioyloxy-1,2-oxazole-5-carboxylate
Also Known As: methyl 3-diethoxyphosphinothioyloxy-1,2-oxazole-5-carboxylate, 3-Hydroxy-5-isoxazolecarboxylic acid methyl ester O-ester with O,O-diethylphosphorothioate, 5-Isoxazolecarboxylic acid, 3-hydroxy-, methyl ester, O-ester with O,O- diethylphosphorothioate, Methyl 3-((diethoxyphosphorothioyl)oxy)isoxazole-5-carboxylate, 5-Isoxazolecarboxylic acid, 3-hydroxy-, methyl ester, O-ester with O,O-diethylphosphorothioate
| Molecular Formula | C9H14NO6PS |
|---|---|
| Molecular Weight | 295.03 g/mol |
| LogP | 2.8 |
| Topological Polar Surface Area | 112.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 8 |
| Exact Mass | 295.02795 |
| Heavy Atoms | 18 |
| Complexity | 318.0 |
Chemical Identifiers
| CAS Number | 18853-27-5 |
|---|---|
| SMILES | CCOP(=S)(OCC)OC1=NOC(=C1)C(=O)OC |
| InChIKey | CBNDYHJSOYIXMQ-UHFFFAOYSA-N |
Product Overview
RefChem:303621 (CAS 18853-27-5), with molecular formula C9H14NO6PS and molecular weight 295.03 g/mol. IUPAC: methyl 3-diethoxyphosphinothioyloxy-1,2-oxazole-5-carboxylate.
Chemical Property Profile of RefChem:303621
Property Insights of RefChem:303621
The XLogP value of 2.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:303621. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:303621. Following Lipinski's Rule of Five, RefChem:303621 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 RefChem:303621?
The CAS number of RefChem:303621 is 18853-27-5.
What is the molecular formula of RefChem:303621?
The molecular formula of RefChem:303621 is C9H14NO6PS.
What is the molecular weight of RefChem:303621?
The molecular weight of RefChem:303621 is 295.03 g/mol.
Where can I buy RefChem:303621?
You can request a quote for RefChem:303621 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:303621?
Yes, KEHONG BIO provides custom synthesis services for RefChem:303621 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.