![{2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate structure](/static/products/3384/338413-56-2.webp)
{2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate
TL;DR: {2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate (CAS 338413-56-2) is a chemical compound with molecular formula C17H20N2O2S and molecular weight 316.12 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
[2-(4-methylphenyl)sulfanyl-3-pyridinyl]methyl N-propan-2-ylcarbamate
Also Known As: {2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate, [2-(4-methylphenyl)sulfanylpyridin-3-yl]methyl N-propan-2-ylcarbamate, {2-[(4-methylphenyl)sulfanyl]pyridin-3-yl}methyl N-(propan-2-yl)carbamate, {2-[(4-methylphenyl)sulfanyl]pyridin-3-yl}methyl N-isopropylcarbamate, {2-[(4-methylphenyl)sulfanyl]pyridin-3-yl}methylN-(propan-2-yl)carbamate
| Molecular Formula | C17H20N2O2S |
|---|---|
| Molecular Weight | 316.12 g/mol |
| LogP | 4.17582 |
| Topological Polar Surface Area | 51.22 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 316.12454 |
| Heavy Atoms | 22 |
| Complexity | 626.811 |
Chemical Identifiers
| CAS Number | 338413-56-2 |
|---|---|
| SMILES | CC1=CC=C(C=C1)SC2=C(C=CC=N2)COC(=O)NC(C)C |
Product Overview
{2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate (CAS 338413-56-2), with molecular formula C17H20N2O2S and molecular weight 316.12 g/mol. IUPAC: [2-(4-methylphenyl)sulfanyl-3-pyridinyl]methyl N-propan-2-ylcarbamate.
Chemical Property Profile of {2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate
Property Insights of {2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate
The XLogP value of 4.17582 indicates that {2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 51.22 Ų, {2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, {2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate has 1 hydrogen bond donor(s) and 4 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 {2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate?
The CAS number of {2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate is 338413-56-2.
What is the molecular formula of {2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate?
The molecular formula of {2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate is C17H20N2O2S.
What is the molecular weight of {2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate?
The molecular weight of {2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate is 316.12 g/mol.
Where can I buy {2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate?
You can request a quote for {2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for {2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate?
Yes, KEHONG BIO provides custom synthesis services for {2-[(4-methylphenyl)sulfanyl]-3-pyridinyl}methyl N-isopropylcarbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.