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3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate structure
Fine Chemical

3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate

TL;DR: 3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate (CAS 51805-45-9) is a chemical compound with molecular formula C9H12O6P-3 and molecular weight 247.03716 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.

3-[bis(2-carboxylatoethyl)phosphanyl]propanoate

Also Known As: 3,3',3''-Phosphinetriyltris(propanoate), Tris(2-carboxyethyl)phosphine hydrochloride, tris-(2-carboxyethyl)phosphine hydrochloride, I14-4576

CAS Number
51805-45-9
Molecular Formula
C9H12O6P-3
Molecular Weight
247.03716 g/mol
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Technical Specifications

Molecular FormulaC9H12O6P-3
Molecular Weight247.03716 g/mol
XLogP-3.1117
Topological Polar Surface Area (TPSA)112.0 Ų
Hydrogen Bond Donors4
Hydrogen Bond Acceptors6
Rotatable Bonds9
Exact Mass247.03716 Da
Heavy Atoms16
Complexity222.0
Melting Point175.0
SMILESC(CP(CCC(=O)[O-])CCC(=O)[O-])C(=O)[O-]
InChIKeyPBVAJRFEEOIAGW-UHFFFAOYSA-N

Product Description

Applications: 3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate (CAS 51805-45-9) with custom synthesis available from milligram to multi-kilogram scale, supported by COA, MSDS, and HPLC/NMR/MS documentation.

3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate is a fine chemical identified by CAS number 51805-45-9 and the molecular formula C9H12O6P-3 and a molecular weight of 247.04 g/mol. It is also known as 3,3',3''-Phosphinetriyltris(propanoate) and Tris(2-carboxyethyl)phosphine hydrochloride.

CoreyChem provides it with COA documentation, and custom synthesis from milligram to multi-kilogram scales is available on request. Request a quotation with your required quantity and purity for current lead time and pricing.

Safety Information

GHS Signal Word
Danger
Hazard Statements (H-Statements)

H314

Chemical Property Profile of 3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate

XLogP
-3.1117
TPSA (Topological Polar Surface Area)
112.0
Hydrogen Bond Donors
4
Hydrogen Bond Acceptors
6
Rotatable Bonds
9
Heavy Atoms
16
Complexity
222.0
Exact Mass
247.03716
Monoisotopic Mass
286.0373
Data Source: Chemical property values are referenced from PubChem, the world's largest open chemistry database maintained by the National Center for Biotechnology Information (NCBI), U.S. National Library of Medicine.

Property Insights of 3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate

The XLogP value of -3.1117 indicates that 3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 112.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate. Following Lipinski's Rule of Five, 3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate has 4 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.

Frequently Asked Questions

What is the CAS number of 3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate?

The CAS number of 3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate is 51805-45-9.

What is the molecular formula of 3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate?

The molecular formula of 3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate is C9H12O6P-3.

What is the molecular weight of 3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate?

The molecular weight of 3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate is 247.03716 g/mol.

What are the applications of 3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate?

3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate is used in organic synthesis and process chemistry. It commonly serves as a versatile building block for organic synthesis. CoreyChem supplies 3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate (CAS 51805-45-9) with custom synthesis available from...

Where can I buy 3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate?

You can request a quote for 3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate directly from CoreyChem. Contact us or email [email protected] for pricing and availability.

Does CoreyChem offer custom synthesis for 3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate?

Yes, CoreyChem provides custom synthesis services for 3-[Bis(2-carboxylatoethyl)phosphanyl]propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.

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