3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid
TL;DR: 3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid (CAS 1833-29-0) is a chemical compound with molecular formula C11H13O2P and molecular weight 208.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbuta-1,2-dienyl(phenyl)phosphinic acid
Also Known As: 3-methylbuta-1,2-dienyl(phenyl)phosphinic acid, NCI60_023243, 3-Methyl-1,2-butadienyl(phenyl)phosphinic acid, (3-Methylbuta-1,2-dien-1-yl)(phenyl)phosphinic acid, Phosphinic acid, (3-methyl-1,2-butadienyl)phenyl-
| Molecular Formula | C11H13O2P |
|---|---|
| Molecular Weight | 208.07 g/mol |
| LogP | 1.4 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 208.06532 |
| Heavy Atoms | 14 |
| Complexity | 290.0 |
Chemical Identifiers
| CAS Number | 1833-29-0 |
|---|---|
| SMILES | CC(=C=CP(=O)(C1=CC=CC=C1)O)C |
| InChIKey | VGXOLLDHRZHIIF-UHFFFAOYSA-N |
Product Overview
3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid (CAS 1833-29-0), with molecular formula C11H13O2P and molecular weight 208.07 g/mol. IUPAC: 3-methylbuta-1,2-dienyl(phenyl)phosphinic acid.
Chemical Property Profile of 3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid
Property Insights of 3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid
The XLogP value of 1.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid. With a topological polar surface area (TPSA) of 37.3 Ų, 3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid has 1 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 3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid?
The CAS number of 3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid is 1833-29-0.
What is the molecular formula of 3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid?
The molecular formula of 3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid is C11H13O2P.
What is the molecular weight of 3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid?
The molecular weight of 3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid is 208.07 g/mol.
Where can I buy 3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid?
You can request a quote for 3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbuta-1,2-dienyl(phenyl)phosphinic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.