2-(Decylamino)-2-methylpropyl 4-aminobenzoate--hydrogen chloride (1/1)
TL;DR: 2-(Decylamino)-2-methylpropyl 4-aminobenzoate--hydrogen chloride (1/1) (CAS 69781-52-8) is a chemical compound with molecular formula C21H37ClN2O2 and molecular weight 384.25 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]-decylazanium chloride
Also Known As: p-Aminobenzoic acid (2-(decylamino)-2-methyl)propyl ester hydrochloride, BENZOIC ACID, p-AMINO-, (2-(DECYLAMINO)-2-METHYL)PROPYL ESTER, HYDROCHLORIDE, [1-(4-aminobenzoyl)oxy-2-methylpropan-2-yl]-decylazanium chloride, 2-(Decylamino)-2-methylpropyl 4-aminobenzoate--hydrogen chloride (1/1), RefChem:1061546
| Molecular Formula | C21H37ClN2O2 |
|---|---|
| Molecular Weight | 384.25 g/mol |
| LogP | 0.91 |
| Topological Polar Surface Area | 68.9 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 14 |
| Exact Mass | 384.25436 |
| Heavy Atoms | 26 |
| Complexity | 350.0 |
Chemical Identifiers
| CAS Number | 69781-52-8 |
|---|---|
| SMILES | CCCCCCCCCC[NH2+]C(C)(C)COC(=O)C1=CC=C(C=C1)N.[Cl-] |
| InChIKey | KDCRPXNJSQXXDM-UHFFFAOYSA-N |
Product Overview
2-(Decylamino)-2-methylpropyl 4-aminobenzoate--hydrogen chloride (1/1) (CAS 69781-52-8), with molecular formula C21H37ClN2O2 and molecular weight 384.25 g/mol. IUPAC: [1-(4-aminobenzoyl)oxy-2-methylpropan-2-yl]-decylazanium chloride.
Chemical Property Profile of 2-(Decylamino)-2-methylpropyl 4-aminobenzoate--hydrogen chloride (1/1)
Property Insights of 2-(Decylamino)-2-methylpropyl 4-aminobenzoate--hydrogen chloride (1/1)
The XLogP value of 0.91 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2-(Decylamino)-2-methylpropyl 4-aminobenzoate--hydrogen chloride (1/1). The TPSA of 68.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-(Decylamino)-2-methylpropyl 4-aminobenzoate--hydrogen chloride (1/1). Following Lipinski's Rule of Five, 2-(Decylamino)-2-methylpropyl 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-(Decylamino)-2-methylpropyl 4-aminobenzoate--hydrogen chloride (1/1)?
The CAS number of 2-(Decylamino)-2-methylpropyl 4-aminobenzoate--hydrogen chloride (1/1) is 69781-52-8.
What is the molecular formula of 2-(Decylamino)-2-methylpropyl 4-aminobenzoate--hydrogen chloride (1/1)?
The molecular formula of 2-(Decylamino)-2-methylpropyl 4-aminobenzoate--hydrogen chloride (1/1) is C21H37ClN2O2.
What is the molecular weight of 2-(Decylamino)-2-methylpropyl 4-aminobenzoate--hydrogen chloride (1/1)?
The molecular weight of 2-(Decylamino)-2-methylpropyl 4-aminobenzoate--hydrogen chloride (1/1) is 384.25 g/mol.
Where can I buy 2-(Decylamino)-2-methylpropyl 4-aminobenzoate--hydrogen chloride (1/1)?
You can request a quote for 2-(Decylamino)-2-methylpropyl 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-(Decylamino)-2-methylpropyl 4-aminobenzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 2-(Decylamino)-2-methylpropyl 4-aminobenzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.