Ethyl (pyridin-4-ylmethyl)carbamate
TL;DR: Ethyl (pyridin-4-ylmethyl)carbamate (CAS 102127-67-3) is a chemical compound with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl N-(pyridin-4-ylmethyl)carbamate
Also Known As: ethyl (pyridin-4-ylmethyl)carbamate, Ethyl N-(pyridin-4-ylmethyl)carbamate, ethoxy-N-(4-pyridylmethyl)carboxamide, carbamic acid, N-(4-pyridinylmethyl)-, ethyl ester
| Molecular Formula | C9H12N2O2 |
|---|---|
| Molecular Weight | 180.09 g/mol |
| LogP | 1.3277 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 180.08987 |
| Heavy Atoms | 13 |
| Complexity | 261.57703 |
Chemical Identifiers
| CAS Number | 102127-67-3 |
|---|---|
| SMILES | CCOC(=O)NCC1=CC=NC=C1 |
Product Overview
Ethyl (pyridin-4-ylmethyl)carbamate (CAS 102127-67-3), with molecular formula C9H12N2O2 and molecular weight 180.09 g/mol. IUPAC: ethyl N-(pyridin-4-ylmethyl)carbamate.
Chemical Property Profile of Ethyl (pyridin-4-ylmethyl)carbamate
Property Insights of Ethyl (pyridin-4-ylmethyl)carbamate
The XLogP value of 1.3277 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Ethyl (pyridin-4-ylmethyl)carbamate. With a topological polar surface area (TPSA) of 51.22 Ų, Ethyl (pyridin-4-ylmethyl)carbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Ethyl (pyridin-4-ylmethyl)carbamate 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 Ethyl (pyridin-4-ylmethyl)carbamate?
The CAS number of Ethyl (pyridin-4-ylmethyl)carbamate is 102127-67-3.
What is the molecular formula of Ethyl (pyridin-4-ylmethyl)carbamate?
The molecular formula of Ethyl (pyridin-4-ylmethyl)carbamate is C9H12N2O2.
What is the molecular weight of Ethyl (pyridin-4-ylmethyl)carbamate?
The molecular weight of Ethyl (pyridin-4-ylmethyl)carbamate is 180.09 g/mol.
Where can I buy Ethyl (pyridin-4-ylmethyl)carbamate?
You can request a quote for Ethyl (pyridin-4-ylmethyl)carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Ethyl (pyridin-4-ylmethyl)carbamate?
Yes, KEHONG BIO provides custom synthesis services for Ethyl (pyridin-4-ylmethyl)carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.