磷酸二甲苯酯
TL;DR: 磷酸二甲苯酯 (CAS 10113-28-7) is a chemical compound with molecular formula C8H11O4P and molecular weight 202.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸二甲苯酯
dimethyl phenyl phosphate
Also Known As: Dimethyl phenyl phosphate, Phenyl dimethyl phosphate, Sofosbuvir Impurity 78, Sofosbuvir Impurity 109, Phosphoric acid, dimethyl phenyl ester
| Molecular Formula | C8H11O4P |
|---|---|
| Molecular Weight | 202.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 202.03949 |
| Heavy Atoms | 13 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 10113-28-7 |
|---|---|
| SMILES | COP(=O)(OC)OC1=CC=CC=C1 |
| InChIKey | XTBBZRRBOAVBRA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 7 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磷酸二甲苯酯 (CAS 10113-28-7), with molecular formula C8H11O4P and molecular weight 202.04 g/mol. IUPAC: dimethyl phenyl phosphate.
Chemical Property Profile of 磷酸二甲苯酯
Property Insights of 磷酸二甲苯酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 磷酸二甲苯酯. With a topological polar surface area (TPSA) of 44.8 Ų, 磷酸二甲苯酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 磷酸二甲苯酯 has 0 hydrogen bond donor(s) and 4 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 磷酸二甲苯酯?
The CAS number of 磷酸二甲苯酯 is 10113-28-7.
What is the molecular formula of 磷酸二甲苯酯?
The molecular formula of 磷酸二甲苯酯 is C8H11O4P.
What is the molecular weight of 磷酸二甲苯酯?
The molecular weight of 磷酸二甲苯酯 is 202.04 g/mol.
Where can I buy 磷酸二甲苯酯?
You can request a quote for 磷酸二甲苯酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸二甲苯酯?
Yes, KEHONG BIO provides custom synthesis services for 磷酸二甲苯酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.