(S)-t-BuPHOX
TL;DR: (S)-t-BuPHOX (CAS 148462-22-0) is a chemical compound with molecular formula C25H26NOP and molecular weight 387.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane
Also Known As: (S)-t-BuPHOX, (S)-4-(tert-Butyl)-2-(2-(diphenylphosphino)phenyl)-4,5-dihydrooxazole, (S)-tBu-Phox, (S)-4-TERT-BUTYL-2-[2-(DIPHENYLPHOSPHINO)PHENYL]-2-OXAZOLINE, (4S)-tert-Butyl-2-[2-(diphenylphosphino)phenyl]-4,5-dihydrooxazole
| Molecular Formula | C25H26NOP |
|---|---|
| Molecular Weight | 387.18 g/mol |
| LogP | 4.6363 |
| Topological Polar Surface Area | 21.59 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 387.1752 |
| Heavy Atoms | 28 |
| Complexity | 921.09784 |
Chemical Identifiers
| CAS Number | 148462-22-0 |
|---|---|
| SMILES | CC(C)(C)[C@H]1COC(=N1)C2=CC=CC=C2P(C3=CC=CC=C3)C4=CC=CC=C4 |
Product Overview
(S)-t-BuPHOX (CAS 148462-22-0), with molecular formula C25H26NOP and molecular weight 387.18 g/mol. IUPAC: [2-[(4S)-4-tert-butyl-4,5-dihydro-1,3-oxazol-2-yl]phenyl]-diphenylphosphane.
Chemical Property Profile of (S)-t-BuPHOX
Property Insights of (S)-t-BuPHOX
The XLogP value of 4.6363 indicates that (S)-t-BuPHOX is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 21.59 Ų, (S)-t-BuPHOX exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, (S)-t-BuPHOX has 0 hydrogen bond donor(s) and 2 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 (S)-t-BuPHOX?
The CAS number of (S)-t-BuPHOX is 148462-22-0.
What is the molecular formula of (S)-t-BuPHOX?
The molecular formula of (S)-t-BuPHOX is C25H26NOP.
What is the molecular weight of (S)-t-BuPHOX?
The molecular weight of (S)-t-BuPHOX is 387.18 g/mol.
Where can I buy (S)-t-BuPHOX?
You can request a quote for (S)-t-BuPHOX directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for (S)-t-BuPHOX?
Yes, KEHONG BIO provides custom synthesis services for (S)-t-BuPHOX and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.