异丙基氨基甲酸-4-吡啶甲基酯
TL;DR: 异丙基氨基甲酸-4-吡啶甲基酯 (CAS 4867-59-8) is a chemical compound with molecular formula C10H14N2O2 and molecular weight 194.11 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-4-吡啶甲基酯
pyridin-4-ylmethyl N-propan-2-ylcarbamate
Also Known As: Isopropylcarbamic acid 4-pyridylmethyl ester, CARBAMIC ACID, ISOPROPYL-, 4-PYRIDYLMETHYL ESTER, Isopropylcarbamicacid4-pyridinylmethylester, pyridin-4-ylmethyl N-propan-2-ylcarbamate, 5-21-02-00193 (Beilstein Handbook Reference)
| Molecular Formula | C10H14N2O2 |
|---|---|
| Molecular Weight | 194.11 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 51.2 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 194.10553 |
| Heavy Atoms | 14 |
| Complexity | 177.0 |
Chemical Identifiers
| CAS Number | 4867-59-8 |
|---|---|
| SMILES | CC(C)NC(=O)OCC1=CC=NC=C1 |
| InChIKey | IQQBQWVYJDCUEB-UHFFFAOYSA-N |
Product Overview
异丙基氨基甲酸-4-吡啶甲基酯 (CAS 4867-59-8), with molecular formula C10H14N2O2 and molecular weight 194.11 g/mol. IUPAC: pyridin-4-ylmethyl N-propan-2-ylcarbamate.
Chemical Property Profile of 异丙基氨基甲酸-4-吡啶甲基酯
Property Insights of 异丙基氨基甲酸-4-吡啶甲基酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 异丙基氨基甲酸-4-吡啶甲基酯. With a topological polar surface area (TPSA) of 51.2 Ų, 异丙基氨基甲酸-4-吡啶甲基酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 异丙基氨基甲酸-4-吡啶甲基酯 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 异丙基氨基甲酸-4-吡啶甲基酯?
The CAS number of 异丙基氨基甲酸-4-吡啶甲基酯 is 4867-59-8.
What is the molecular formula of 异丙基氨基甲酸-4-吡啶甲基酯?
The molecular formula of 异丙基氨基甲酸-4-吡啶甲基酯 is C10H14N2O2.
What is the molecular weight of 异丙基氨基甲酸-4-吡啶甲基酯?
The molecular weight of 异丙基氨基甲酸-4-吡啶甲基酯 is 194.11 g/mol.
Where can I buy 异丙基氨基甲酸-4-吡啶甲基酯?
You can request a quote for 异丙基氨基甲酸-4-吡啶甲基酯 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-4-吡啶甲基酯?
Yes, KEHONG BIO provides custom synthesis services for 异丙基氨基甲酸-4-吡啶甲基酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.