2-tert-Butyl-3-phenyl-3H-1,3-benzazaphosphole
TL;DR: 2-tert-Butyl-3-phenyl-3H-1,3-benzazaphosphole (CAS 64414-15-9) is a chemical compound with molecular formula C17H18NP and molecular weight 267.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-tert-butyl-3-phenyl-1,3-benzazaphosphole
Also Known As: 2-tert-Butyl-3-phenyl-3H-1,3-benzazaphosphole, 2-tert-butyl-3-phenyl-1,3-benzazaphosphole, RefChem:267122
| Molecular Formula | C17H18NP |
|---|---|
| Molecular Weight | 267.12 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 12.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 1 |
| Rotatable Bonds | 2 |
| Exact Mass | 267.11768 |
| Heavy Atoms | 19 |
| Complexity | 303.0 |
Chemical Identifiers
| CAS Number | 64414-15-9 |
|---|---|
| SMILES | CC(C)(C)C1=NC2=CC=CC=C2P1C3=CC=CC=C3 |
| InChIKey | KRSCYMSGWWCXEU-UHFFFAOYSA-N |
Product Overview
2-tert-Butyl-3-phenyl-3H-1,3-benzazaphosphole (CAS 64414-15-9), with molecular formula C17H18NP and molecular weight 267.12 g/mol. IUPAC: 2-tert-butyl-3-phenyl-1,3-benzazaphosphole.
Chemical Property Profile of 2-tert-Butyl-3-phenyl-3H-1,3-benzazaphosphole
Property Insights of 2-tert-Butyl-3-phenyl-3H-1,3-benzazaphosphole
The XLogP value of 3.9 indicates that 2-tert-Butyl-3-phenyl-3H-1,3-benzazaphosphole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 12.9 Ų, 2-tert-Butyl-3-phenyl-3H-1,3-benzazaphosphole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-tert-Butyl-3-phenyl-3H-1,3-benzazaphosphole has 0 hydrogen bond donor(s) and 1 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-tert-Butyl-3-phenyl-3H-1,3-benzazaphosphole?
The CAS number of 2-tert-Butyl-3-phenyl-3H-1,3-benzazaphosphole is 64414-15-9.
What is the molecular formula of 2-tert-Butyl-3-phenyl-3H-1,3-benzazaphosphole?
The molecular formula of 2-tert-Butyl-3-phenyl-3H-1,3-benzazaphosphole is C17H18NP.
What is the molecular weight of 2-tert-Butyl-3-phenyl-3H-1,3-benzazaphosphole?
The molecular weight of 2-tert-Butyl-3-phenyl-3H-1,3-benzazaphosphole is 267.12 g/mol.
Where can I buy 2-tert-Butyl-3-phenyl-3H-1,3-benzazaphosphole?
You can request a quote for 2-tert-Butyl-3-phenyl-3H-1,3-benzazaphosphole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-tert-Butyl-3-phenyl-3H-1,3-benzazaphosphole?
Yes, KEHONG BIO provides custom synthesis services for 2-tert-Butyl-3-phenyl-3H-1,3-benzazaphosphole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.