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Isopropyl 4'-amino-[1,1'-biphenyl]-3-carboxylate
TL;DR: Isopropyl 4'-amino-[1,1'-biphenyl]-3-carboxylate (CAS 728918-85-2) is a chemical compound with molecular formula C16H17NO2 and molecular weight 255.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
propan-2-yl 3-(4-aminophenyl)benzoate
Also Known As: Isopropyl 4'-amino-[1,1'-biphenyl]-3-carboxylate, isopropyl 3-(4-aminophenyl)benzoate, propan-2-yl 3-(4-aminophenyl)benzoate, 4'-Aminobiphenyl-3-carboxylic acid isopropyl ester, 4'-Amino-biphenyl-3-carboxylic acid isopropylester
| Molecular Formula | C16H17NO2 |
|---|---|
| Molecular Weight | 255.13 g/mol |
| LogP | 3.501 |
| Topological Polar Surface Area | 52.32 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 255.12593 |
| Heavy Atoms | 19 |
| Complexity | 573.55774 |
Chemical Identifiers
| CAS Number | 728918-85-2 |
|---|---|
| SMILES | CC(C)OC(=O)C1=CC=CC(=C1)C2=CC=C(C=C2)N |
Product Overview
Isopropyl 4'-amino-[1,1'-biphenyl]-3-carboxylate (CAS 728918-85-2), with molecular formula C16H17NO2 and molecular weight 255.13 g/mol. IUPAC: propan-2-yl 3-(4-aminophenyl)benzoate.
Chemical Property Profile of Isopropyl 4'-amino-[1,1'-biphenyl]-3-carboxylate
Property Insights of Isopropyl 4'-amino-[1,1'-biphenyl]-3-carboxylate
The XLogP value of 3.501 indicates that Isopropyl 4'-amino-[1,1'-biphenyl]-3-carboxylate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.32 Ų, Isopropyl 4'-amino-[1,1'-biphenyl]-3-carboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isopropyl 4'-amino-[1,1'-biphenyl]-3-carboxylate 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'-amino-[1,1'-biphenyl]-3-carboxylate?
The CAS number of Isopropyl 4'-amino-[1,1'-biphenyl]-3-carboxylate is 728918-85-2.
What is the molecular formula of Isopropyl 4'-amino-[1,1'-biphenyl]-3-carboxylate?
The molecular formula of Isopropyl 4'-amino-[1,1'-biphenyl]-3-carboxylate is C16H17NO2.
What is the molecular weight of Isopropyl 4'-amino-[1,1'-biphenyl]-3-carboxylate?
The molecular weight of Isopropyl 4'-amino-[1,1'-biphenyl]-3-carboxylate is 255.13 g/mol.
Where can I buy Isopropyl 4'-amino-[1,1'-biphenyl]-3-carboxylate?
You can request a quote for Isopropyl 4'-amino-[1,1'-biphenyl]-3-carboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isopropyl 4'-amino-[1,1'-biphenyl]-3-carboxylate?
Yes, KEHONG BIO provides custom synthesis services for Isopropyl 4'-amino-[1,1'-biphenyl]-3-carboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.