3-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide
TL;DR: 3-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide (CAS 56918-22-0) is a chemical compound with molecular formula C7H11O4P and molecular weight 190.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-methoxy-1-methyl-1-oxo-2,3-dihydro-1λ5-phosphole-5-carboxylic acid
Also Known As: 4-methoxy-1-methyl-1-oxo-2,3-dihydro-1, 3-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide, 4-methoxy-1-methyl-1-oxo-2,3-dihydro-1lambda5-phosphole-5-carboxy, 4-methoxy-1-methyl-1-oxo-2,3-dihydro-1$l^{5}-phosphole-5-carboxylic acid
| Molecular Formula | C7H11O4P |
|---|---|
| Molecular Weight | 190.04 g/mol |
| LogP | -0.2 |
| Topological Polar Surface Area | 63.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 190.03949 |
| Heavy Atoms | 12 |
| Complexity | 292.0 |
Chemical Identifiers
| CAS Number | 56918-22-0 |
|---|---|
| SMILES | COC1=C(P(=O)(CC1)C)C(=O)O |
| InChIKey | XCKPBBDLKWCKOQ-UHFFFAOYSA-N |
Product Overview
3-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide (CAS 56918-22-0), with molecular formula C7H11O4P and molecular weight 190.04 g/mol. IUPAC: 4-methoxy-1-methyl-1-oxo-2,3-dihydro-1λ5-phosphole-5-carboxylic acid.
Chemical Property Profile of 3-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide
Property Insights of 3-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide
The XLogP value of -0.2 indicates that 3-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 63.6 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide. Following Lipinski's Rule of Five, 3-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide has 1 hydrogen bond donor(s) and 4 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-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide?
The CAS number of 3-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide is 56918-22-0.
What is the molecular formula of 3-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide?
The molecular formula of 3-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide is C7H11O4P.
What is the molecular weight of 3-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide?
The molecular weight of 3-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide is 190.04 g/mol.
Where can I buy 3-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide?
You can request a quote for 3-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide?
Yes, KEHONG BIO provides custom synthesis services for 3-Methoxy-1-methyl-4,5-dihydro-1H-phosphole-2-carboxylic acid 1-oxide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.