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Carbamic acid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl ester (9CI)
TL;DR: Carbamic acid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl ester (9CI) (CAS 352344-85-5) is a chemical compound with molecular formula C17H20N2O2 and molecular weight 284.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate
Also Known As: 4-tert-butylbenzyl 3-pyridinylcarbamate, (4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate, 4-(2-Methyl-2-propanyl)benzyl 3-pyridinylcarbamate, (4-TERT-BUTYLPHENYL)METHYL N-(PYRIDIN-3-YL)CARBAMATE, Carbamic acid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl ester (9CI)
| Molecular Formula | C17H20N2O2 |
|---|---|
| Molecular Weight | 284.15 g/mol |
| LogP | 4.1278 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 284.15247 |
| Heavy Atoms | 21 |
| Complexity | 586.4372 |
Chemical Identifiers
| CAS Number | 352344-85-5 |
|---|---|
| SMILES | CC(C)(C)C1=CC=C(C=C1)COC(=O)NC2=CN=CC=C2 |
Product Overview
Carbamic acid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl ester (9CI) (CAS 352344-85-5), with molecular formula C17H20N2O2 and molecular weight 284.15 g/mol. IUPAC: (4-tert-butylphenyl)methyl N-pyridin-3-ylcarbamate.
Chemical Property Profile of Carbamic acid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl ester (9CI)
Property Insights of Carbamic acid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl ester (9CI)
The XLogP value of 4.1278 indicates that Carbamic acid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl ester (9CI) is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, Carbamic acid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl ester (9CI) exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Carbamic acid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl ester (9CI) 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 Carbamic acid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl ester (9CI)?
The CAS number of Carbamic acid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl ester (9CI) is 352344-85-5.
What is the molecular formula of Carbamic acid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl ester (9CI)?
The molecular formula of Carbamic acid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl ester (9CI) is C17H20N2O2.
What is the molecular weight of Carbamic acid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl ester (9CI)?
The molecular weight of Carbamic acid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl ester (9CI) is 284.15 g/mol.
Where can I buy Carbamic acid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl ester (9CI)?
You can request a quote for Carbamic acid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl ester (9CI) directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Carbamic acid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl ester (9CI)?
Yes, KEHONG BIO provides custom synthesis services for Carbamic acid, 3-pyridinyl-, [4-(1,1-dimethylethyl)phenyl]methyl ester (9CI) and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.