2,4,6-Cycloheptatriene-1-acetic acid, 3-morpholinopropyl ester, hydrochloride
TL;DR: 2,4,6-Cycloheptatriene-1-acetic acid, 3-morpholinopropyl ester, hydrochloride (CAS 69352-80-3) is a chemical compound with molecular formula C16H24ClNO3 and molecular weight 313.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-morpholin-4-ium-4-ylpropyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride
Also Known As: MP 45, 2,4,6-CYCLOHEPTATRIENE-1-ACETIC ACID, 3-MORPHOLINOPROPYL ESTER, HYDROCHLORIDE, 2,4,6-Cycloheptatriene-1-acetic acid, 3-(4-morpholinyl)propyl ester, hydrochloride, 3-morpholin-4-ium-4-ylpropyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride
| Molecular Formula | C16H24ClNO3 |
|---|---|
| Molecular Weight | 313.14 g/mol |
| LogP | -2.47 |
| Topological Polar Surface Area | 40.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 313.14447 |
| Heavy Atoms | 21 |
| Complexity | 365.0 |
Chemical Identifiers
| CAS Number | 69352-80-3 |
|---|---|
| SMILES | C1COCC[NH+]1CCCOC(=O)CC2C=CC=CC=C2.[Cl-] |
| InChIKey | OHYVOJTVINKOPB-UHFFFAOYSA-N |
Product Overview
2,4,6-Cycloheptatriene-1-acetic acid, 3-morpholinopropyl ester, hydrochloride (CAS 69352-80-3), with molecular formula C16H24ClNO3 and molecular weight 313.14 g/mol. IUPAC: 3-morpholin-4-ium-4-ylpropyl 2-cyclohepta-2,4,6-trien-1-ylacetate chloride.
Chemical Property Profile of 2,4,6-Cycloheptatriene-1-acetic acid, 3-morpholinopropyl ester, hydrochloride
Property Insights of 2,4,6-Cycloheptatriene-1-acetic acid, 3-morpholinopropyl ester, hydrochloride
The XLogP value of -2.47 indicates that 2,4,6-Cycloheptatriene-1-acetic acid, 3-morpholinopropyl ester, hydrochloride is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 40.0 Ų, 2,4,6-Cycloheptatriene-1-acetic acid, 3-morpholinopropyl ester, hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,4,6-Cycloheptatriene-1-acetic acid, 3-morpholinopropyl ester, hydrochloride 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 2,4,6-Cycloheptatriene-1-acetic acid, 3-morpholinopropyl ester, hydrochloride?
The CAS number of 2,4,6-Cycloheptatriene-1-acetic acid, 3-morpholinopropyl ester, hydrochloride is 69352-80-3.
What is the molecular formula of 2,4,6-Cycloheptatriene-1-acetic acid, 3-morpholinopropyl ester, hydrochloride?
The molecular formula of 2,4,6-Cycloheptatriene-1-acetic acid, 3-morpholinopropyl ester, hydrochloride is C16H24ClNO3.
What is the molecular weight of 2,4,6-Cycloheptatriene-1-acetic acid, 3-morpholinopropyl ester, hydrochloride?
The molecular weight of 2,4,6-Cycloheptatriene-1-acetic acid, 3-morpholinopropyl ester, hydrochloride is 313.14 g/mol.
Where can I buy 2,4,6-Cycloheptatriene-1-acetic acid, 3-morpholinopropyl ester, hydrochloride?
You can request a quote for 2,4,6-Cycloheptatriene-1-acetic acid, 3-morpholinopropyl ester, hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,4,6-Cycloheptatriene-1-acetic acid, 3-morpholinopropyl ester, hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for 2,4,6-Cycloheptatriene-1-acetic acid, 3-morpholinopropyl ester, hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.