RefChem:327871
TL;DR: RefChem:327871 (CAS 69781-46-0) is a chemical compound with molecular formula C16H27ClN2O2 and molecular weight 314.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-aminobenzoyl)oxy-2-methylpropyl]-pentan-3-ylazanium chloride
Also Known As: Benzoic acid, p-amino-, 1,1-dimethyl-2-((1-ethylpropyl)amino)ethyl ester, hydrochloride, p-Aminobenzoic acid 1,1-dimethyl-2-((1-ethylpropyl)amino)ethyl ester hydrochloride, [2-(4-aminobenzoyl)oxy-2-methylpropyl]-pentan-3-ylazanium chloride, RefChem:327871
| Molecular Formula | C16H27ClN2O2 |
|---|---|
| Molecular Weight | 314.18 g/mol |
| LogP | -1.04 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 8 |
| Exact Mass | 314.17612 |
| Heavy Atoms | 21 |
| Complexity | 293.0 |
Chemical Identifiers
| CAS Number | 69781-46-0 |
|---|---|
| SMILES | CCC(CC)[NH2+]CC(C)(C)OC(=O)C1=CC=C(C=C1)N.[Cl-] |
| InChIKey | UYSRQEVMEVZDMG-UHFFFAOYSA-N |
Product Overview
RefChem:327871 (CAS 69781-46-0), with molecular formula C16H27ClN2O2 and molecular weight 314.18 g/mol. IUPAC: [2-(4-aminobenzoyl)oxy-2-methylpropyl]-pentan-3-ylazanium chloride.
Chemical Property Profile of RefChem:327871
Property Insights of RefChem:327871
The XLogP value of -1.04 indicates that RefChem:327871 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:327871. Following Lipinski's Rule of Five, RefChem:327871 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:327871?
The CAS number of RefChem:327871 is 69781-46-0.
What is the molecular formula of RefChem:327871?
The molecular formula of RefChem:327871 is C16H27ClN2O2.
What is the molecular weight of RefChem:327871?
The molecular weight of RefChem:327871 is 314.18 g/mol.
Where can I buy RefChem:327871?
You can request a quote for RefChem:327871 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:327871?
Yes, KEHONG BIO provides custom synthesis services for RefChem:327871 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.