Isopropyl 4-(4-aminophenyl)butyrate hydrochloride
TL;DR: Isopropyl 4-(4-aminophenyl)butyrate hydrochloride (CAS 94094-47-0) is a chemical compound with molecular formula C13H20ClNO2 and molecular weight 257.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 4-(4-aminophenyl)butanoate;hydrochloride
Also Known As: EINECS 302-148-4, Isopropyl 4-(4-aminophenyl)butyrate hydrochloride, Isopropyl 4-(4-aminophenyl)butyrate HCl, propan-2-yl 4-(4-aminophenyl)butanoate hydrochloride, Propan-2-yl 4-(4-aminophenyl)butanoate--hydrogen chloride (1/1)
| Molecular Formula | C13H20ClNO2 |
|---|---|
| Molecular Weight | 257.12 g/mol |
| LogP | 2.9649 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 257.11826 |
| Heavy Atoms | 17 |
| Complexity | 335.77762 |
Chemical Identifiers
| CAS Number | 94094-47-0 |
|---|---|
| SMILES | CC(C)OC(=O)CCCC1=CC=C(C=C1)N.Cl |
Product Overview
Isopropyl 4-(4-aminophenyl)butyrate hydrochloride (CAS 94094-47-0), with molecular formula C13H20ClNO2 and molecular weight 257.12 g/mol. IUPAC: propan-2-yl 4-(4-aminophenyl)butanoate;hydrochloride.
Chemical Property Profile of Isopropyl 4-(4-aminophenyl)butyrate hydrochloride
Property Insights of Isopropyl 4-(4-aminophenyl)butyrate hydrochloride
The XLogP value of 2.9649 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Isopropyl 4-(4-aminophenyl)butyrate hydrochloride. With a topological polar surface area (TPSA) of 52.32 Ų, Isopropyl 4-(4-aminophenyl)butyrate hydrochloride exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 4-(4-aminophenyl)butyrate hydrochloride has 1 hydrogen bond donor(s) and 3 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 Isopropyl 4-(4-aminophenyl)butyrate hydrochloride?
The CAS number of Isopropyl 4-(4-aminophenyl)butyrate hydrochloride is 94094-47-0.
What is the molecular formula of Isopropyl 4-(4-aminophenyl)butyrate hydrochloride?
The molecular formula of Isopropyl 4-(4-aminophenyl)butyrate hydrochloride is C13H20ClNO2.
What is the molecular weight of Isopropyl 4-(4-aminophenyl)butyrate hydrochloride?
The molecular weight of Isopropyl 4-(4-aminophenyl)butyrate hydrochloride is 257.12 g/mol.
Where can I buy Isopropyl 4-(4-aminophenyl)butyrate hydrochloride?
You can request a quote for Isopropyl 4-(4-aminophenyl)butyrate hydrochloride directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 4-(4-aminophenyl)butyrate hydrochloride?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 4-(4-aminophenyl)butyrate hydrochloride and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.