Mono(2-(carboxymethyl)hexyl) phthalate
TL;DR: Mono(2-(carboxymethyl)hexyl) phthalate (CAS 82975-93-7) is a chemical compound with molecular formula C16H20O6 and molecular weight 308.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[2-(carboxymethyl)hexoxycarbonyl]benzoic acid
Also Known As: Mono[2-(carboxymethyl)hexyl] Phthalate, DEHP Metabolite IV, MCMHP, 2-[2-(carboxymethyl)hexoxycarbonyl]benzoic acid, mono-2-(carboxymethyl)hexyl phthalate
| Molecular Formula | C16H20O6 |
|---|---|
| Molecular Weight | 308.13 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 101.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 10 |
| Exact Mass | 308.12598 |
| Heavy Atoms | 22 |
| Complexity | 392.0 |
Chemical Identifiers
| CAS Number | 82975-93-7 |
|---|---|
| SMILES | CCCCC(CC(=O)O)COC(=O)C1=CC=CC=C1C(=O)O |
| InChIKey | CCNOZWPVQWCJFK-UHFFFAOYSA-N |
Product Overview
Mono(2-(carboxymethyl)hexyl) phthalate (CAS 82975-93-7), with molecular formula C16H20O6 and molecular weight 308.13 g/mol. IUPAC: 2-[2-(carboxymethyl)hexoxycarbonyl]benzoic acid.
Chemical Property Profile of Mono(2-(carboxymethyl)hexyl) phthalate
Property Insights of Mono(2-(carboxymethyl)hexyl) phthalate
The XLogP value of 3.0 indicates that Mono(2-(carboxymethyl)hexyl) phthalate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 101.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Mono(2-(carboxymethyl)hexyl) phthalate. Following Lipinski's Rule of Five, Mono(2-(carboxymethyl)hexyl) phthalate has 2 hydrogen bond donor(s) and 6 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 Mono(2-(carboxymethyl)hexyl) phthalate?
The CAS number of Mono(2-(carboxymethyl)hexyl) phthalate is 82975-93-7.
What is the molecular formula of Mono(2-(carboxymethyl)hexyl) phthalate?
The molecular formula of Mono(2-(carboxymethyl)hexyl) phthalate is C16H20O6.
What is the molecular weight of Mono(2-(carboxymethyl)hexyl) phthalate?
The molecular weight of Mono(2-(carboxymethyl)hexyl) phthalate is 308.13 g/mol.
Where can I buy Mono(2-(carboxymethyl)hexyl) phthalate?
You can request a quote for Mono(2-(carboxymethyl)hexyl) phthalate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mono(2-(carboxymethyl)hexyl) phthalate?
Yes, KEHONG BIO provides custom synthesis services for Mono(2-(carboxymethyl)hexyl) phthalate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.