2-Methyl-2-(pentylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1)
TL;DR: 2-Methyl-2-(pentylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1) (CAS 69780-87-6) 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.
[1-(4-aminobenzoyl)oxy-2-methylpropan-2-yl]-pentylazanium chloride
Also Known As: p-Aminobenzoic acid (2-methyl-2-(pentylamino))propyl ester hydrochloride, BENZOIC ACID, p-AMINO-, (2-METHYL-2-(PENTYLAMINO))PROPYL ESTER, HYDROCHLORIDE, [1-(4-aminobenzoyl)oxy-2-methylpropan-2-yl]-pentylazanium chloride, 2-Methyl-2-(pentylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1), RefChem:1063679
| 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 | 9 |
| Exact Mass | 314.17612 |
| Heavy Atoms | 21 |
| Complexity | 284.0 |
Chemical Identifiers
| CAS Number | 69780-87-6 |
|---|---|
| SMILES | CCCCC[NH2+]C(C)(C)COC(=O)C1=CC=C(C=C1)N.[Cl-] |
| InChIKey | KZGVJWGSPUMKDU-UHFFFAOYSA-N |
Product Overview
2-Methyl-2-(pentylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1) (CAS 69780-87-6), with molecular formula C16H27ClN2O2 and molecular weight 314.18 g/mol. IUPAC: [1-(4-aminobenzoyl)oxy-2-methylpropan-2-yl]-pentylazanium chloride.
Chemical Property Profile of 2-Methyl-2-(pentylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1)
Property Insights of 2-Methyl-2-(pentylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1)
The XLogP value of -1.04 indicates that 2-Methyl-2-(pentylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1) 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 2-Methyl-2-(pentylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, 2-Methyl-2-(pentylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1) 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 2-Methyl-2-(pentylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1)?
The CAS number of 2-Methyl-2-(pentylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1) is 69780-87-6.
What is the molecular formula of 2-Methyl-2-(pentylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1)?
The molecular formula of 2-Methyl-2-(pentylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1) is C16H27ClN2O2.
What is the molecular weight of 2-Methyl-2-(pentylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1)?
The molecular weight of 2-Methyl-2-(pentylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1) is 314.18 g/mol.
Where can I buy 2-Methyl-2-(pentylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1)?
You can request a quote for 2-Methyl-2-(pentylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Methyl-2-(pentylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-Methyl-2-(pentylamino)propyl 4-aminobenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.