Nevirapine analog
TL;DR: Nevirapine analog (CAS 162109-00-4) is a chemical compound with molecular formula C14H13BrN4O and molecular weight 332.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
13-bromo-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
Also Known As: Nevirapine analog, Dipyridodiazepinone deriv., DIP006, 2,4,6-TRIMETHYLBENZYL ALCOHOL, 13-Bromo-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one
| Molecular Formula | C14H13BrN4O |
|---|---|
| Molecular Weight | 332.03 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 49.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 1 |
| Exact Mass | 332.02728 |
| Heavy Atoms | 20 |
| Complexity | 380.0 |
Chemical Identifiers
| CAS Number | 162109-00-4 |
|---|---|
| SMILES | CCN1C2=C(C=CC=N2)N(C(=O)C3=C1N=CC(=C3)Br)C |
| InChIKey | BJEIQNJCEZCSQI-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Nevirapine analog (CAS 162109-00-4), with molecular formula C14H13BrN4O and molecular weight 332.03 g/mol. IUPAC: 13-bromo-2-ethyl-9-methyl-2,4,9,15-tetrazatricyclo[9.4.0.03,8]pentadeca-1(11),3(8),4,6,12,14-hexaen-10-one.
Chemical Property Profile of Nevirapine analog
Property Insights of Nevirapine analog
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Nevirapine analog. With a topological polar surface area (TPSA) of 49.3 Ų, Nevirapine analog exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Nevirapine analog has 0 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 Nevirapine analog?
The CAS number of Nevirapine analog is 162109-00-4.
What is the molecular formula of Nevirapine analog?
The molecular formula of Nevirapine analog is C14H13BrN4O.
What is the molecular weight of Nevirapine analog?
The molecular weight of Nevirapine analog is 332.03 g/mol.
Where can I buy Nevirapine analog?
You can request a quote for Nevirapine analog directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Nevirapine analog?
Yes, KEHONG BIO provides custom synthesis services for Nevirapine analog and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.