4-Pyridinecarbamic acid, 3,4,5-trimethoxybenzyl ester
TL;DR: 4-Pyridinecarbamic acid, 3,4,5-trimethoxybenzyl ester (CAS 4867-79-2) is a chemical compound with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3,4,5-trimethoxyphenyl)methyl N-pyridin-4-ylcarbamate
Also Known As: 3,4,5-Trimethoxybenzyl 4-pyridinecarbamate, 4-Pyridinecarbamic acid, 3,4,5-trimethoxybenzyl ester, (3,4,5-trimethoxyphenyl)methyl N-pyridin-4-ylcarbamate, 4-Pyridinecarbamicacid3,4,5-trimethoxybenzylester, (3,4,5-Trimethoxyphenyl)methyl pyridin-4-ylcarbamate
| Molecular Formula | C16H18N2O5 |
|---|---|
| Molecular Weight | 318.12 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.12158 |
| Heavy Atoms | 23 |
| Complexity | 348.0 |
Chemical Identifiers
| CAS Number | 4867-79-2 |
|---|---|
| SMILES | COC1=CC(=CC(=C1OC)OC)COC(=O)NC2=CC=NC=C2 |
| InChIKey | CJIOXDIWMQEHER-UHFFFAOYSA-N |
Product Overview
4-Pyridinecarbamic acid, 3,4,5-trimethoxybenzyl ester (CAS 4867-79-2), with molecular formula C16H18N2O5 and molecular weight 318.12 g/mol. IUPAC: (3,4,5-trimethoxyphenyl)methyl N-pyridin-4-ylcarbamate.
Chemical Property Profile of 4-Pyridinecarbamic acid, 3,4,5-trimethoxybenzyl ester
Property Insights of 4-Pyridinecarbamic acid, 3,4,5-trimethoxybenzyl ester
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 4-Pyridinecarbamic acid, 3,4,5-trimethoxybenzyl ester. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 4-Pyridinecarbamic acid, 3,4,5-trimethoxybenzyl ester. Following Lipinski's Rule of Five, 4-Pyridinecarbamic acid, 3,4,5-trimethoxybenzyl ester has 1 hydrogen bond donor(s) and 6 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-Pyridinecarbamic acid, 3,4,5-trimethoxybenzyl ester?
The CAS number of 4-Pyridinecarbamic acid, 3,4,5-trimethoxybenzyl ester is 4867-79-2.
What is the molecular formula of 4-Pyridinecarbamic acid, 3,4,5-trimethoxybenzyl ester?
The molecular formula of 4-Pyridinecarbamic acid, 3,4,5-trimethoxybenzyl ester is C16H18N2O5.
What is the molecular weight of 4-Pyridinecarbamic acid, 3,4,5-trimethoxybenzyl ester?
The molecular weight of 4-Pyridinecarbamic acid, 3,4,5-trimethoxybenzyl ester is 318.12 g/mol.
Where can I buy 4-Pyridinecarbamic acid, 3,4,5-trimethoxybenzyl ester?
You can request a quote for 4-Pyridinecarbamic acid, 3,4,5-trimethoxybenzyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-Pyridinecarbamic acid, 3,4,5-trimethoxybenzyl ester?
Yes, KEHONG BIO provides custom synthesis services for 4-Pyridinecarbamic acid, 3,4,5-trimethoxybenzyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.