4-(2-Aminoethyl)phenyl benzoate--hydrogen chloride (1/1)
TL;DR: 4-(2-Aminoethyl)phenyl benzoate--hydrogen chloride (1/1) (CAS 43195-90-0) is a chemical compound with molecular formula C15H16ClNO2 and molecular weight 277.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[4-(2-aminoethyl)phenyl] benzoate;hydrochloride
Also Known As: Benzoic acid, (2-aminoethyl)phenyl ester, 4-(2-Aminoethyl)phenol benzoate (ester) hydrochloride, 4-(2-Aminoethyl)phenyl benzoate hydrochloride, 4-(2-aminoethyl)phenyl benzoate hydrochloride(1:1), [4-(2-aminoethyl)phenyl] benzoate hydrochloride
| Molecular Formula | C15H16ClNO2 |
|---|---|
| Molecular Weight | 277.09 g/mol |
| LogP | 2.8288 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 277.08694 |
| Heavy Atoms | 19 |
| Complexity | 253.0 |
Chemical Identifiers
| CAS Number | 43195-90-0 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)CCN.Cl |
| InChIKey | BBXMCJFODDDTOT-UHFFFAOYSA-N |
Product Overview
4-(2-Aminoethyl)phenyl benzoate--hydrogen chloride (1/1) (CAS 43195-90-0), with molecular formula C15H16ClNO2 and molecular weight 277.09 g/mol. IUPAC: [4-(2-aminoethyl)phenyl] benzoate;hydrochloride.
Chemical Property Profile of 4-(2-Aminoethyl)phenyl benzoate--hydrogen chloride (1/1)
Property Insights of 4-(2-Aminoethyl)phenyl benzoate--hydrogen chloride (1/1)
The XLogP value of 2.8288 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-(2-Aminoethyl)phenyl benzoate--hydrogen chloride (1/1). With a topological polar surface area (TPSA) of 52.3 Ų, 4-(2-Aminoethyl)phenyl benzoate--hydrogen chloride (1/1) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(2-Aminoethyl)phenyl benzoate--hydrogen chloride (1/1) has 2 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 4-(2-Aminoethyl)phenyl benzoate--hydrogen chloride (1/1)?
The CAS number of 4-(2-Aminoethyl)phenyl benzoate--hydrogen chloride (1/1) is 43195-90-0.
What is the molecular formula of 4-(2-Aminoethyl)phenyl benzoate--hydrogen chloride (1/1)?
The molecular formula of 4-(2-Aminoethyl)phenyl benzoate--hydrogen chloride (1/1) is C15H16ClNO2.
What is the molecular weight of 4-(2-Aminoethyl)phenyl benzoate--hydrogen chloride (1/1)?
The molecular weight of 4-(2-Aminoethyl)phenyl benzoate--hydrogen chloride (1/1) is 277.09 g/mol.
Where can I buy 4-(2-Aminoethyl)phenyl benzoate--hydrogen chloride (1/1)?
You can request a quote for 4-(2-Aminoethyl)phenyl benzoate--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 4-(2-Aminoethyl)phenyl benzoate--hydrogen chloride (1/1)?
Yes, KEHONG BIO provides custom synthesis services for 4-(2-Aminoethyl)phenyl benzoate--hydrogen chloride (1/1) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.