![tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate structure](/static/products/3891/389117-32-2.webp)
tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate
TL;DR: tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate (CAS 389117-32-2) is a chemical compound with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate
Also Known As: Peakdale1_000236, Carbamicacid,[4-[ thio]phenyl]-,1,1-dimethylethylester, CARBAMIC ACID, [4-[(4,6-DIMETHYL-2-PYRIMIDINYL)THIO]PHENYL]-, 1,1-DIMETHYLETHYL ESTER (9CI), tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate
| Molecular Formula | C17H21N3O2S |
|---|---|
| Molecular Weight | 331.14 g/mol |
| LogP | 4.59164 |
| Topological Polar Surface Area | 64.11 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 331.13544 |
| Heavy Atoms | 23 |
| Complexity | 673.7249 |
Chemical Identifiers
| CAS Number | 389117-32-2 |
|---|---|
| SMILES | CC1=CC(=NC(=N1)SC2=CC=C(C=C2)NC(=O)OC(C)(C)C)C |
Product Overview
tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate (CAS 389117-32-2), with molecular formula C17H21N3O2S and molecular weight 331.14 g/mol. IUPAC: tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate.
Chemical Property Profile of tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate
Property Insights of tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate
The XLogP value of 4.59164 indicates that tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.11 Ų falls within the moderate polarity range, balancing permeability and solubility for tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate. Following Lipinski's Rule of Five, tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate has 1 hydrogen bond donor(s) and 5 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 tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate?
The CAS number of tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate is 389117-32-2.
What is the molecular formula of tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate?
The molecular formula of tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate is C17H21N3O2S.
What is the molecular weight of tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate?
The molecular weight of tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate is 331.14 g/mol.
Where can I buy tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate?
You can request a quote for tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate?
Yes, KEHONG BIO provides custom synthesis services for tert-butyl N-[4-(4,6-dimethylpyrimidin-2-yl)sulfanylphenyl]carbamate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.