ChemDiv1_022211
TL;DR: ChemDiv1_022211 (CAS 398995-92-1) is a chemical compound with molecular formula C19H21N3O2 and molecular weight 323.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-(3-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
Also Known As: ChemDiv1_022211, F0836-0056, N-(3-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-diene-11-carboxamide, 8-oxo-N-(m-tolyl)-4,5,6,8-tetrahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3(2H)-carboxamide, N-(3-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide
| Molecular Formula | C19H21N3O2 |
|---|---|
| Molecular Weight | 323.16 g/mol |
| LogP | 2.80792 |
| Topological Polar Surface Area | 54.34 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 323.1634 |
| Heavy Atoms | 24 |
| Complexity | 842.5007 |
Chemical Identifiers
| CAS Number | 398995-92-1 |
|---|---|
| SMILES | CC1=CC(=CC=C1)NC(=O)N2CC3CC(C2)C4=CC=CC(=O)N4C3 |
Product Overview
ChemDiv1_022211 (CAS 398995-92-1), with molecular formula C19H21N3O2 and molecular weight 323.16 g/mol. IUPAC: N-(3-methylphenyl)-6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carboxamide.
Chemical Property Profile of ChemDiv1_022211
Property Insights of ChemDiv1_022211
The XLogP value of 2.80792 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_022211. With a topological polar surface area (TPSA) of 54.34 Ų, ChemDiv1_022211 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, ChemDiv1_022211 has 1 hydrogen bond donor(s) and 2 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 ChemDiv1_022211?
The CAS number of ChemDiv1_022211 is 398995-92-1.
What is the molecular formula of ChemDiv1_022211?
The molecular formula of ChemDiv1_022211 is C19H21N3O2.
What is the molecular weight of ChemDiv1_022211?
The molecular weight of ChemDiv1_022211 is 323.16 g/mol.
Where can I buy ChemDiv1_022211?
You can request a quote for ChemDiv1_022211 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022211?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022211 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.