4-氨基苯甲酸戊酯
TL;DR: 4-氨基苯甲酸戊酯 (CAS 13110-37-7) is a chemical compound with molecular formula C12H17NO2 and molecular weight 207.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-氨基苯甲酸戊酯
pentyl 4-aminobenzoate
Also Known As: pentyl 4-aminobenzoate, Indolapril, n-Amyl 4-aminobenzoate, N-PENTYL-4-AMINOBENZOATE, amylp-aminobenzoate
| Molecular Formula | C12H17NO2 |
|---|---|
| Molecular Weight | 207.13 g/mol |
| LogP | 3.5 |
| Topological Polar Surface Area | 52.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 6 |
| Exact Mass | 207.12593 |
| Heavy Atoms | 15 |
| Complexity | 186.0 |
Chemical Identifiers
| CAS Number | 13110-37-7 |
|---|---|
| SMILES | CCCCCOC(=O)C1=CC=C(C=C1)N |
| InChIKey | VKYWCHMXHQTCJQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 8 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
4-氨基苯甲酸戊酯 (CAS 13110-37-7), with molecular formula C12H17NO2 and molecular weight 207.13 g/mol. IUPAC: pentyl 4-aminobenzoate.
Chemical Property Profile of 4-氨基苯甲酸戊酯
Property Insights of 4-氨基苯甲酸戊酯
The XLogP value of 3.5 indicates that 4-氨基苯甲酸戊酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.3 Ų, 4-氨基苯甲酸戊酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-氨基苯甲酸戊酯 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 4-氨基苯甲酸戊酯?
The CAS number of 4-氨基苯甲酸戊酯 is 13110-37-7.
What is the molecular formula of 4-氨基苯甲酸戊酯?
The molecular formula of 4-氨基苯甲酸戊酯 is C12H17NO2.
What is the molecular weight of 4-氨基苯甲酸戊酯?
The molecular weight of 4-氨基苯甲酸戊酯 is 207.13 g/mol.
Where can I buy 4-氨基苯甲酸戊酯?
You can request a quote for 4-氨基苯甲酸戊酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-氨基苯甲酸戊酯?
Yes, KEHONG BIO provides custom synthesis services for 4-氨基苯甲酸戊酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.