RefChem:1079300
TL;DR: RefChem:1079300 (CAS 69781-02-8) is a chemical compound with molecular formula C20H27ClN2O2 and molecular weight 362.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-aminobenzoyl)oxypropyl-methyl-(3-phenylpropyl)azanium chloride
Also Known As: Benzoic acid, p-amino-, 3-(N-methyl-N-(3-phenylpropyl)amino)propyl ester, hydrochloride, p-Aminobenzoic acid 3-(N-methyl-N-(3-phenylpropyl)amino)propyl ester hydrochloride, 3-(4-aminobenzoyl)oxypropyl-methyl-(3-phenylpropyl)azanium chloride, RefChem:1079300
| Molecular Formula | C20H27ClN2O2 |
|---|---|
| Molecular Weight | 362.18 g/mol |
| LogP | -1.03 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 10 |
| Exact Mass | 362.17612 |
| Heavy Atoms | 25 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 69781-02-8 |
|---|---|
| SMILES | C[NH+](CCCC1=CC=CC=C1)CCCOC(=O)C2=CC=C(C=C2)N.[Cl-] |
| InChIKey | QGPLGWBGLZDDLE-UHFFFAOYSA-N |
Product Overview
RefChem:1079300 (CAS 69781-02-8), with molecular formula C20H27ClN2O2 and molecular weight 362.18 g/mol. IUPAC: 3-(4-aminobenzoyl)oxypropyl-methyl-(3-phenylpropyl)azanium chloride.
Chemical Property Profile of RefChem:1079300
Property Insights of RefChem:1079300
The XLogP value of -1.03 indicates that RefChem:1079300 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. With a topological polar surface area (TPSA) of 56.8 Ų, RefChem:1079300 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1079300 has 2 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 RefChem:1079300?
The CAS number of RefChem:1079300 is 69781-02-8.
What is the molecular formula of RefChem:1079300?
The molecular formula of RefChem:1079300 is C20H27ClN2O2.
What is the molecular weight of RefChem:1079300?
The molecular weight of RefChem:1079300 is 362.18 g/mol.
Where can I buy RefChem:1079300?
You can request a quote for RefChem:1079300 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079300?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079300 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.