RefChem:1079301
TL;DR: RefChem:1079301 (CAS 73713-52-7) is a chemical compound with molecular formula C21H29ClN2O2 and molecular weight 376.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(4-aminobenzoyl)oxypropyl-methyl-(4-phenylbutyl)azanium chloride
Also Known As: Benzoic acid, p-amino-, 3-(N-methyl-N-(4-phenylbutyl)amino)propyl ester, hydrochloride, 1-Propanol, 3-(N-methyl-N-4-phenylbutyl)amino-, p-aminobenzoate (ester), hydrochloride, 3-(4-aminobenzoyl)oxypropyl-methyl-(4-phenylbutyl)azanium chloride, p-Aminobenzoic acid 3-(N-methyl-N-(4-phenylbutyl)amino)propyl ester hydrochloride, 1-Propanol, 3-[methyl(4-phenylbutyl)amino]-, 4-aminobenzoate (ester), hydrochloride
| Molecular Formula | C21H29ClN2O2 |
|---|---|
| Molecular Weight | 376.19 g/mol |
| LogP | -0.64 |
| Topological Polar Surface Area | 56.8 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 11 |
| Exact Mass | 376.19174 |
| Heavy Atoms | 26 |
| Complexity | 361.0 |
Chemical Identifiers
| CAS Number | 73713-52-7 |
|---|---|
| SMILES | C[NH+](CCCCC1=CC=CC=C1)CCCOC(=O)C2=CC=C(C=C2)N.[Cl-] |
| InChIKey | XXSZBIPILFIURA-UHFFFAOYSA-N |
Product Overview
RefChem:1079301 (CAS 73713-52-7), with molecular formula C21H29ClN2O2 and molecular weight 376.19 g/mol. IUPAC: 3-(4-aminobenzoyl)oxypropyl-methyl-(4-phenylbutyl)azanium chloride.
Chemical Property Profile of RefChem:1079301
Property Insights of RefChem:1079301
The XLogP value of -0.64 indicates that RefChem:1079301 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:1079301 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1079301 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:1079301?
The CAS number of RefChem:1079301 is 73713-52-7.
What is the molecular formula of RefChem:1079301?
The molecular formula of RefChem:1079301 is C21H29ClN2O2.
What is the molecular weight of RefChem:1079301?
The molecular weight of RefChem:1079301 is 376.19 g/mol.
Where can I buy RefChem:1079301?
You can request a quote for RefChem:1079301 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1079301?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1079301 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.