1,4-Dimethyl-6-acetyl-3-nitrocarbazole
TL;DR: 1,4-Dimethyl-6-acetyl-3-nitrocarbazole (CAS 136950-74-8) is a chemical compound with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(5,8-dimethyl-6-nitro-9H-carbazol-3-yl)ethanone
Also Known As: Dentin protector, 1,4-Dimethyl-6-acetyl-3-nitrocarbazole, 1,4-Dimethyl-3-nitro-6-acetyl-9H-carbazole, 1-(5,8-dimethyl-6-nitro-9H-carbazol-3-yl)ethanone, 1-(5,8-DIMETHYL-6-NITRO-9H-CARBAZOL-3-YL)ETHAN-1-ONE
| Molecular Formula | C16H14N2O3 |
|---|---|
| Molecular Weight | 282.10 g/mol |
| LogP | 3.6 |
| Topological Polar Surface Area | 78.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 282.10043 |
| Heavy Atoms | 21 |
| Complexity | 447.0 |
Chemical Identifiers
| CAS Number | 136950-74-8 |
|---|---|
| SMILES | CC1=CC(=C(C2=C1NC3=C2C=C(C=C3)C(=O)C)C)[N+](=O)[O-] |
| InChIKey | VDVHPWXBFXZQGI-UHFFFAOYSA-N |
Product Overview
1,4-Dimethyl-6-acetyl-3-nitrocarbazole (CAS 136950-74-8), with molecular formula C16H14N2O3 and molecular weight 282.10 g/mol. IUPAC: 1-(5,8-dimethyl-6-nitro-9H-carbazol-3-yl)ethanone.
Chemical Property Profile of 1,4-Dimethyl-6-acetyl-3-nitrocarbazole
Property Insights of 1,4-Dimethyl-6-acetyl-3-nitrocarbazole
The XLogP value of 3.6 indicates that 1,4-Dimethyl-6-acetyl-3-nitrocarbazole is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.7 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,4-Dimethyl-6-acetyl-3-nitrocarbazole. Following Lipinski's Rule of Five, 1,4-Dimethyl-6-acetyl-3-nitrocarbazole 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 1,4-Dimethyl-6-acetyl-3-nitrocarbazole?
The CAS number of 1,4-Dimethyl-6-acetyl-3-nitrocarbazole is 136950-74-8.
What is the molecular formula of 1,4-Dimethyl-6-acetyl-3-nitrocarbazole?
The molecular formula of 1,4-Dimethyl-6-acetyl-3-nitrocarbazole is C16H14N2O3.
What is the molecular weight of 1,4-Dimethyl-6-acetyl-3-nitrocarbazole?
The molecular weight of 1,4-Dimethyl-6-acetyl-3-nitrocarbazole is 282.10 g/mol.
Where can I buy 1,4-Dimethyl-6-acetyl-3-nitrocarbazole?
You can request a quote for 1,4-Dimethyl-6-acetyl-3-nitrocarbazole directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dimethyl-6-acetyl-3-nitrocarbazole?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dimethyl-6-acetyl-3-nitrocarbazole and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.