丁-2-基二乙基磷酸酯
TL;DR: 丁-2-基二乙基磷酸酯 (CAS 31774-59-1) 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.
丁-2-基二乙基磷酸酯
butan-2-yl diethyl phosphate
Also Known As: butan-2-yl diethyl phosphate, sec-Butyl diethyl phosphate, Phosphoric acid sec-butyldiethyl ester, J2.000.654D, RefChem:330396
| Molecular Formula | C8H19O4P |
|---|---|
| Molecular Weight | 210.10 g/mol |
| LogP | 1.6 |
| Topological Polar Surface Area | 44.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 210.1021 |
| Heavy Atoms | 13 |
| Complexity | 162.0 |
Chemical Identifiers
| CAS Number | 31774-59-1 |
|---|---|
| SMILES | CCC(C)OP(=O)(OCC)OCC |
| InChIKey | XAHIQDKGLKWBKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
丁-2-基二乙基磷酸酯 (CAS 31774-59-1), with molecular formula C8H19O4P and molecular weight 210.10 g/mol. IUPAC: butan-2-yl diethyl phosphate.
Chemical Property Profile of 丁-2-基二乙基磷酸酯
Property Insights of 丁-2-基二乙基磷酸酯
The XLogP value of 1.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 丁-2-基二乙基磷酸酯. With a topological polar surface area (TPSA) of 44.8 Ų, 丁-2-基二乙基磷酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 丁-2-基二乙基磷酸酯 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 丁-2-基二乙基磷酸酯?
The CAS number of 丁-2-基二乙基磷酸酯 is 31774-59-1.
What is the molecular formula of 丁-2-基二乙基磷酸酯?
The molecular formula of 丁-2-基二乙基磷酸酯 is C8H19O4P.
What is the molecular weight of 丁-2-基二乙基磷酸酯?
The molecular weight of 丁-2-基二乙基磷酸酯 is 210.10 g/mol.
Where can I buy 丁-2-基二乙基磷酸酯?
You can request a quote for 丁-2-基二乙基磷酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丁-2-基二乙基磷酸酯?
Yes, KEHONG BIO provides custom synthesis services for 丁-2-基二乙基磷酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.