![Benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone structure](/static/products/7006/7006-83-9.webp)
Benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone
TL;DR: Benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone (CAS 7006-83-9) is a chemical compound with molecular formula C16H14N6O5 and molecular weight 370.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone
Also Known As: Benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone, (1H-1,2,3-Benzotriazol-1-yl){3,5-dinitro-4-[(propan-2-yl)amino]phenyl}methanone
| Molecular Formula | C16H14N6O5 |
|---|---|
| Molecular Weight | 370.10 g/mol |
| LogP | 2.7565 |
| Topological Polar Surface Area | 146.09 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 5 |
| Exact Mass | 370.10257 |
| Heavy Atoms | 27 |
| Complexity | 1039.0981 |
Chemical Identifiers
| CAS Number | 7006-83-9 |
|---|---|
| SMILES | CC(C)NC1=C(C=C(C=C1[N+](=O)[O-])C(=O)N2C3=CC=CC=C3N=N2)[N+](=O)[O-] |
Product Overview
Benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone (CAS 7006-83-9), with molecular formula C16H14N6O5 and molecular weight 370.10 g/mol. IUPAC: benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone.
Chemical Property Profile of Benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone
Property Insights of Benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone
The XLogP value of 2.7565 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone. The TPSA of 146.09 Ų indicates high polarity, suggesting Benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone has 1 hydrogen bond donor(s) and 8 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 Benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone?
The CAS number of Benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone is 7006-83-9.
What is the molecular formula of Benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone?
The molecular formula of Benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone is C16H14N6O5.
What is the molecular weight of Benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone?
The molecular weight of Benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone is 370.10 g/mol.
Where can I buy Benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone?
You can request a quote for Benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone?
Yes, KEHONG BIO provides custom synthesis services for Benzotriazol-1-yl-[3,5-dinitro-4-(propan-2-ylamino)phenyl]methanone and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.