RefChem:81042
TL;DR: RefChem:81042 (CAS 28789-80-2) is a chemical compound with molecular formula C14H20NO5PS and molecular weight 345.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(2,2-dimethyl-3H-1-benzofuran-7-yl) N-dimethoxyphosphinothioyl-N-methylcarbamate
Also Known As: N-(DIMETHOXYPHOSPHINOTHIOYL)CARBOFURAN, 2,2-Dimethyl-2,3-dihydrobenzofuranyl-7-N-dimethoxyphosphinothioyl-N-methylcarbamate, (Dimethoxyphosphinothioyl)methylcarbamic acid 2,3-dihydro-2,2-dimethyl-7-benzofuranyl ester, 2,2-Dimethyl-2,3-dihydrobenzofuranyl-7-N-(O,O-dimethylphosphorothioyl)-N-methylcarbamate, Carbamic acid, N-(O,O-dimethylphosphorothioyl)-N-methyl-, 2,2-dimethyl-2,3-dihydrobenzofuran-7-yl ester
| Molecular Formula | C14H20NO5PS |
|---|---|
| Molecular Weight | 345.08 g/mol |
| LogP | 3.7 |
| Topological Polar Surface Area | 89.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 345.08 |
| Heavy Atoms | 22 |
| Complexity | 464.0 |
Chemical Identifiers
| CAS Number | 28789-80-2 |
|---|---|
| SMILES | CC1(CC2=C(O1)C(=CC=C2)OC(=O)N(C)P(=S)(OC)OC)C |
| InChIKey | GGQXYZBUENNNRV-UHFFFAOYSA-N |
Product Overview
RefChem:81042 (CAS 28789-80-2), with molecular formula C14H20NO5PS and molecular weight 345.08 g/mol. IUPAC: (2,2-dimethyl-3H-1-benzofuran-7-yl) N-dimethoxyphosphinothioyl-N-methylcarbamate.
Chemical Property Profile of RefChem:81042
Property Insights of RefChem:81042
The XLogP value of 3.7 indicates that RefChem:81042 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:81042. Following Lipinski's Rule of Five, RefChem:81042 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:81042?
The CAS number of RefChem:81042 is 28789-80-2.
What is the molecular formula of RefChem:81042?
The molecular formula of RefChem:81042 is C14H20NO5PS.
What is the molecular weight of RefChem:81042?
The molecular weight of RefChem:81042 is 345.08 g/mol.
Where can I buy RefChem:81042?
You can request a quote for RefChem:81042 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:81042?
Yes, KEHONG BIO provides custom synthesis services for RefChem:81042 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.