RefChem:332678
TL;DR: RefChem:332678 (CAS 28789-76-6) is a chemical compound with molecular formula C13H20NO5PS and molecular weight 333.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2-propan-2-yloxyphenyl) N-dimethoxyphosphinothioyl-N-methylcarbamate
Also Known As: n-n-methylcarbamicacido-isopropoxyphenylester, Carbamic acid, N-(O,O-dimethylphosphorothioyl)-N-methyl-, o-isopropoxyphenyl ester, N- -N-methylcarbamicacido-isopropoxyphenylester, o-Isopropoxyphenyl N-(O,O-dimethylphosphorothioyl)-N-methylcarbamate, N-(Dimethylphosphorothioyl)-N-methylcarbamic acid, o-isopropoxyphenyl ester
| Molecular Formula | C13H20NO5PS |
|---|---|
| Molecular Weight | 333.08 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 89.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 333.08 |
| Heavy Atoms | 21 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 28789-76-6 |
|---|---|
| SMILES | CC(C)OC1=CC=CC=C1OC(=O)N(C)P(=S)(OC)OC |
| InChIKey | MLSUSBOUXRLKFF-UHFFFAOYSA-N |
Product Overview
RefChem:332678 (CAS 28789-76-6), with molecular formula C13H20NO5PS and molecular weight 333.08 g/mol. IUPAC: (2-propan-2-yloxyphenyl) N-dimethoxyphosphinothioyl-N-methylcarbamate.
Chemical Property Profile of RefChem:332678
Property Insights of RefChem:332678
The XLogP value of 3.2 indicates that RefChem:332678 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.3 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:332678. Following Lipinski's Rule of Five, RefChem:332678 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:332678?
The CAS number of RefChem:332678 is 28789-76-6.
What is the molecular formula of RefChem:332678?
The molecular formula of RefChem:332678 is C13H20NO5PS.
What is the molecular weight of RefChem:332678?
The molecular weight of RefChem:332678 is 333.08 g/mol.
Where can I buy RefChem:332678?
You can request a quote for RefChem:332678 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:332678?
Yes, KEHONG BIO provides custom synthesis services for RefChem:332678 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.