磷酸双(1,1-二甲基乙基)酯
TL;DR: 磷酸双(1,1-二甲基乙基)酯 (CAS 33494-81-4) is a chemical compound with molecular formula C8H19O4P and molecular weight 210.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磷酸双(1,1-二甲基乙基)酯
ditert-butyl hydrogen phosphate
Also Known As: Di-tert-butyl hydrogen phosphate, Di-t-butyl phosphoric acid, Di-tert-butyl phosphate, ditert-butyl hydrogen phosphate, di-tert-butylphosphate
| Molecular Formula | C8H19O4P |
|---|---|
| Molecular Weight | 210.10 g/mol |
| LogP | 1.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 210.1021 |
| Heavy Atoms | 13 |
| Complexity | 191.0 |
Chemical Identifiers
| CAS Number | 33494-81-4 |
|---|---|
| SMILES | CC(C)(C)OP(=O)(O)OC(C)(C)C |
| InChIKey | YEWZQCDRZRYAEB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 13 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
磷酸双(1,1-二甲基乙基)酯 (CAS 33494-81-4), with molecular formula C8H19O4P and molecular weight 210.10 g/mol. IUPAC: ditert-butyl hydrogen phosphate.
Chemical Property Profile of 磷酸双(1,1-二甲基乙基)酯
Property Insights of 磷酸双(1,1-二甲基乙基)酯
The XLogP value of 1.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 磷酸双(1,1-二甲基乙基)酯. With a topological polar surface area (TPSA) of 55.8 Ų, 磷酸双(1,1-二甲基乙基)酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 磷酸双(1,1-二甲基乙基)酯 has 1 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 磷酸双(1,1-二甲基乙基)酯?
The CAS number of 磷酸双(1,1-二甲基乙基)酯 is 33494-81-4.
What is the molecular formula of 磷酸双(1,1-二甲基乙基)酯?
The molecular formula of 磷酸双(1,1-二甲基乙基)酯 is C8H19O4P.
What is the molecular weight of 磷酸双(1,1-二甲基乙基)酯?
The molecular weight of 磷酸双(1,1-二甲基乙基)酯 is 210.10 g/mol.
Where can I buy 磷酸双(1,1-二甲基乙基)酯?
You can request a quote for 磷酸双(1,1-二甲基乙基)酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磷酸双(1,1-二甲基乙基)酯?
Yes, KEHONG BIO provides custom synthesis services for 磷酸双(1,1-二甲基乙基)酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.