异丙基氨基甲酸-3-苯丙酯
TL;DR: 异丙基氨基甲酸-3-苯丙酯 (CAS 92196-89-9) is a chemical compound with molecular formula C13H19NO2 and molecular weight 221.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
异丙基氨基甲酸-3-苯丙酯
3-phenylpropyl N-propan-2-ylcarbamate
Also Known As: 3-Phenylpropyl isopropylcarbamate, Isopropylcarbamic acid 3-phenylpropyl ester, 3-phenylpropyl propan-2-ylcarbamate, CARBAMIC ACID, ISOPROPYL-, 3-PHENYLPROPYL ESTER, 3-phenylpropyl N-propan-2-ylcarbamate
| Molecular Formula | C13H19NO2 |
|---|---|
| Molecular Weight | 221.14 g/mol |
| LogP | 3.2 |
| Topological Polar Surface Area | 38.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 221.14159 |
| Heavy Atoms | 16 |
| Complexity | 198.0 |
Chemical Identifiers
| CAS Number | 92196-89-9 |
|---|---|
| SMILES | CC(C)NC(=O)OCCCC1=CC=CC=C1 |
| InChIKey | PDSSUGSZBIOTAE-UHFFFAOYSA-N |
Product Overview
异丙基氨基甲酸-3-苯丙酯 (CAS 92196-89-9), with molecular formula C13H19NO2 and molecular weight 221.14 g/mol. IUPAC: 3-phenylpropyl N-propan-2-ylcarbamate.
Chemical Property Profile of 异丙基氨基甲酸-3-苯丙酯
Property Insights of 异丙基氨基甲酸-3-苯丙酯
The XLogP value of 3.2 indicates that 异丙基氨基甲酸-3-苯丙酯 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 38.3 Ų, 异丙基氨基甲酸-3-苯丙酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丙基氨基甲酸-3-苯丙酯 has 1 hydrogen bond donor(s) and 2 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 异丙基氨基甲酸-3-苯丙酯?
The CAS number of 异丙基氨基甲酸-3-苯丙酯 is 92196-89-9.
What is the molecular formula of 异丙基氨基甲酸-3-苯丙酯?
The molecular formula of 异丙基氨基甲酸-3-苯丙酯 is C13H19NO2.
What is the molecular weight of 异丙基氨基甲酸-3-苯丙酯?
The molecular weight of 异丙基氨基甲酸-3-苯丙酯 is 221.14 g/mol.
Where can I buy 异丙基氨基甲酸-3-苯丙酯?
You can request a quote for 异丙基氨基甲酸-3-苯丙酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 异丙基氨基甲酸-3-苯丙酯?
Yes, KEHONG BIO provides custom synthesis services for 异丙基氨基甲酸-3-苯丙酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.