叔丁基磷杂乙炔
TL;DR: 叔丁基磷杂乙炔 (CAS 78129-68-7) is a chemical compound with molecular formula C5H9P and molecular weight 100.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
叔丁基磷杂乙炔
2,2-dimethylpropylidynephosphane
Also Known As: t-butylphosphaacetylene, tert-Butylphosphaalkyne, 1-Phospha-1-butyne, 3,3-dimethyl-, 2,2-dimethylpropylidynephosphane, (2,2-dimethylpropylidyne)phosphane
| Molecular Formula | C5H9P |
|---|---|
| Molecular Weight | 100.04 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 100.04419 |
| Heavy Atoms | 6 |
| Complexity | 77.0 |
Chemical Identifiers
| CAS Number | 78129-68-7 |
|---|---|
| SMILES | CC(C)(C)C#P |
| InChIKey | PXQNAKPBTIQCTI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
叔丁基磷杂乙炔 (CAS 78129-68-7), with molecular formula C5H9P and molecular weight 100.04 g/mol. IUPAC: 2,2-dimethylpropylidynephosphane.
Chemical Property Profile of 叔丁基磷杂乙炔
Property Insights of 叔丁基磷杂乙炔
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 叔丁基磷杂乙炔. With a topological polar surface area (TPSA) of 0.0 Ų, 叔丁基磷杂乙炔 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 叔丁基磷杂乙炔 has 0 hydrogen bond donor(s) and 0 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 叔丁基磷杂乙炔?
The CAS number of 叔丁基磷杂乙炔 is 78129-68-7.
What is the molecular formula of 叔丁基磷杂乙炔?
The molecular formula of 叔丁基磷杂乙炔 is C5H9P.
What is the molecular weight of 叔丁基磷杂乙炔?
The molecular weight of 叔丁基磷杂乙炔 is 100.04 g/mol.
Where can I buy 叔丁基磷杂乙炔?
You can request a quote for 叔丁基磷杂乙炔 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 叔丁基磷杂乙炔?
Yes, KEHONG BIO provides custom synthesis services for 叔丁基磷杂乙炔 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.