![2-[4-(Diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole structure](/static/products/3418/34180-82-0.webp)
2-[4-(Diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole
TL;DR: 2-[4-(Diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole (CAS 34180-82-0) is a chemical compound with molecular formula C18H20NO4P and molecular weight 345.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole
Also Known As: 2-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole, 2-[4-(Diethoxyphosphorylmethyl)phenyl]benzooxazole, Diethyl {[4-(1,3-benzoxazol-2-yl)phenyl]methyl}phosphonate
| Molecular Formula | C18H20NO4P |
|---|---|
| Molecular Weight | 345.11 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 61.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 7 |
| Exact Mass | 345.113 |
| Heavy Atoms | 24 |
| Complexity | 429.0 |
Chemical Identifiers
| CAS Number | 34180-82-0 |
|---|---|
| SMILES | CCOP(=O)(CC1=CC=C(C=C1)C2=NC3=CC=CC=C3O2)OCC |
| InChIKey | ISPFTJXAQGZXKA-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-[4-(Diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole (CAS 34180-82-0), with molecular formula C18H20NO4P and molecular weight 345.11 g/mol. IUPAC: 2-[4-(diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole.
Chemical Property Profile of 2-[4-(Diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole
Property Insights of 2-[4-(Diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-[4-(Diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole. The TPSA of 61.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-[4-(Diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole. Following Lipinski's Rule of Five, 2-[4-(Diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole has 0 hydrogen bond donor(s) and 5 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 2-[4-(Diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole?
The CAS number of 2-[4-(Diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole is 34180-82-0.
What is the molecular formula of 2-[4-(Diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole?
The molecular formula of 2-[4-(Diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole is C18H20NO4P.
What is the molecular weight of 2-[4-(Diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole?
The molecular weight of 2-[4-(Diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole is 345.11 g/mol.
Where can I buy 2-[4-(Diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole?
You can request a quote for 2-[4-(Diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-[4-(Diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole?
Yes, KEHONG BIO provides custom synthesis services for 2-[4-(Diethoxyphosphorylmethyl)phenyl]-1,3-benzoxazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.