1-Boc-4-nitroindole
TL;DR: 1-Boc-4-nitroindole (CAS 108958-81-2) is a chemical compound with molecular formula C15H18N2O2S and molecular weight 290.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 3,4-dimethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate
Also Known As: 1-Boc-4-nitroindole, ethyl 1,6-dimethyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate, ethyl 1,6-dimethyl-4-phenyl-2-thioxo-1,2,3,4-tetrahydropyrimidine-5-carboxylate, ethyl 3,4-dimethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate, AB00086866-01
| Molecular Formula | C15H18N2O2S |
|---|---|
| Molecular Weight | 290.11 g/mol |
| LogP | 2.3847 |
| Topological Polar Surface Area | 41.57 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 290.1089 |
| Heavy Atoms | 20 |
| Complexity | 554.2518 |
Chemical Identifiers
| CAS Number | 108958-81-2 |
|---|---|
| SMILES | CCOC(=O)C1=C(N(C(=S)NC1C2=CC=CC=C2)C)C |
Product Overview
1-Boc-4-nitroindole (CAS 108958-81-2), with molecular formula C15H18N2O2S and molecular weight 290.11 g/mol. IUPAC: ethyl 3,4-dimethyl-6-phenyl-2-sulfanylidene-1,6-dihydropyrimidine-5-carboxylate.
Chemical Property Profile of 1-Boc-4-nitroindole
Property Insights of 1-Boc-4-nitroindole
The XLogP value of 2.3847 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1-Boc-4-nitroindole. With a topological polar surface area (TPSA) of 41.57 Ų, 1-Boc-4-nitroindole exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1-Boc-4-nitroindole 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 1-Boc-4-nitroindole?
The CAS number of 1-Boc-4-nitroindole is 108958-81-2.
What is the molecular formula of 1-Boc-4-nitroindole?
The molecular formula of 1-Boc-4-nitroindole is C15H18N2O2S.
What is the molecular weight of 1-Boc-4-nitroindole?
The molecular weight of 1-Boc-4-nitroindole is 290.11 g/mol.
Where can I buy 1-Boc-4-nitroindole?
You can request a quote for 1-Boc-4-nitroindole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1-Boc-4-nitroindole?
Yes, KEHONG BIO provides custom synthesis services for 1-Boc-4-nitroindole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.