4-甲基苄基膦酸二乙酯
TL;DR: 4-甲基苄基膦酸二乙酯 (CAS 3762-25-2) is a chemical compound with molecular formula C12H19O3P and molecular weight 242.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-甲基苄基膦酸二乙酯
1-(diethoxyphosphorylmethyl)-4-methylbenzene
Also Known As: diethyl 4-methylbenzylphosphonate, Diethyl (4-methylbenzyl)phosphonate, diethyl 4-MBzP, 1qw7, Diethyl(4-methylbenzyl)phosphonate
| Molecular Formula | C12H19O3P |
|---|---|
| Molecular Weight | 242.11 g/mol |
| LogP | 2.1 |
| Topological Polar Surface Area | 35.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 242.10718 |
| Heavy Atoms | 16 |
| Complexity | 224.0 |
Chemical Identifiers
| CAS Number | 3762-25-2 |
|---|---|
| SMILES | CCOP(=O)(CC1=CC=C(C=C1)C)OCC |
| InChIKey | QKGBKPZAXXBLJE-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 11 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-甲基苄基膦酸二乙酯 (CAS 3762-25-2), with molecular formula C12H19O3P and molecular weight 242.11 g/mol. IUPAC: 1-(diethoxyphosphorylmethyl)-4-methylbenzene.
Chemical Property Profile of 4-甲基苄基膦酸二乙酯
Property Insights of 4-甲基苄基膦酸二乙酯
The XLogP value of 2.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-甲基苄基膦酸二乙酯. With a topological polar surface area (TPSA) of 35.5 Ų, 4-甲基苄基膦酸二乙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Diethyl P-((4-methylphenyl)methyl)phosphonate has 0 hydrogen bond donor(s) and 3 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 Diethyl P-((4-methylphenyl)methyl)phosphonate?
The CAS number of Diethyl P-((4-methylphenyl)methyl)phosphonate is 3762-25-2.
What is the molecular formula of Diethyl P-((4-methylphenyl)methyl)phosphonate?
The molecular formula of Diethyl P-((4-methylphenyl)methyl)phosphonate is C12H19O3P.
What is the molecular weight of Diethyl P-((4-methylphenyl)methyl)phosphonate?
The molecular weight of Diethyl P-((4-methylphenyl)methyl)phosphonate is 242.11 g/mol.
Where can I buy Diethyl P-((4-methylphenyl)methyl)phosphonate?
You can request a quote for Diethyl P-((4-methylphenyl)methyl)phosphonate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Diethyl P-((4-methylphenyl)methyl)phosphonate?
Yes, KEHONG BIO provides custom synthesis services for Diethyl P-((4-methylphenyl)methyl)phosphonate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.