ChemDiv1_022255
TL;DR: ChemDiv1_022255 (CAS 398995-98-7) is a chemical compound with molecular formula C21H23N3O4 and molecular weight 381.17 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl)amino]benzoate
Also Known As: ChemDiv1_022255, F0836-0059, ethyl 4-({6-oxo-7,11-diazatricyclo[7.3.1.0^{2,7}]trideca-2,4-diene-11-carbonyl}amino)benzoate, ethyl 4-{[(8-oxo-1,5,6,8-tetrahydro-2H-1,5-methanopyrido[1,2-a][1,5]diazocin-3(4H)-yl)carbonyl]amino}benzoate, ethyl 4-(8-oxo-2,3,4,5,6,8-hexahydro-1H-1,5-methanopyrido[1,2-a][1,5]diazocine-3-carboxamido)benzoate
| Molecular Formula | C21H23N3O4 |
|---|---|
| Molecular Weight | 381.17 g/mol |
| LogP | 2.6762 |
| Topological Polar Surface Area | 80.64 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 381.16885 |
| Heavy Atoms | 28 |
| Complexity | 950.8682 |
Chemical Identifiers
| CAS Number | 398995-98-7 |
|---|---|
| SMILES | CCOC(=O)C1=CC=C(C=C1)NC(=O)N2CC3CC(C2)C4=CC=CC(=O)N4C3 |
Product Overview
ChemDiv1_022255 (CAS 398995-98-7), with molecular formula C21H23N3O4 and molecular weight 381.17 g/mol. IUPAC: ethyl 4-[(6-oxo-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-diene-11-carbonyl)amino]benzoate.
Chemical Property Profile of ChemDiv1_022255
Property Insights of ChemDiv1_022255
The XLogP value of 2.6762 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv1_022255. The TPSA of 80.64 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv1_022255. Following Lipinski's Rule of Five, ChemDiv1_022255 has 1 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 ChemDiv1_022255?
The CAS number of ChemDiv1_022255 is 398995-98-7.
What is the molecular formula of ChemDiv1_022255?
The molecular formula of ChemDiv1_022255 is C21H23N3O4.
What is the molecular weight of ChemDiv1_022255?
The molecular weight of ChemDiv1_022255 is 381.17 g/mol.
Where can I buy ChemDiv1_022255?
You can request a quote for ChemDiv1_022255 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv1_022255?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv1_022255 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.