CI 1044
TL;DR: CI 1044 (CAS 197894-84-1) is a chemical compound with molecular formula C23H19N5O2 and molecular weight 397.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(11R)-6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-3-carboxamide
Also Known As: CAS-NOCAS_47291, (+)-CI-1044, Tox21_300455, SID:135653686, J1.478.738K
| Molecular Formula | C23H19N5O2 |
|---|---|
| Molecular Weight | 397.15 g/mol |
| LogP | 2.16 |
| Topological Polar Surface Area | 100.68 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 397.15387 |
| Heavy Atoms | 30 |
| Complexity | 1174.9576 |
Chemical Identifiers
| CAS Number | 197894-84-1 |
|---|---|
| SMILES | C1CN2C(=O)[C@@H](N=C(C3=CC(=CC1=C32)N)C4=CC=CC=C4)NC(=O)C5=CN=CC=C5 |
Product Overview
CI 1044 (CAS 197894-84-1), with molecular formula C23H19N5O2 and molecular weight 397.15 g/mol. IUPAC: N-[(11R)-6-amino-12-oxo-9-phenyl-1,10-diazatricyclo[6.4.1.04,13]trideca-4(13),5,7,9-tetraen-11-yl]pyridine-3-carboxamide.
Chemical Property Profile of CI 1044
Property Insights of CI 1044
The XLogP value of 2.16 suggests moderate lipophilicity, balancing water solubility and membrane permeability for CI 1044. The TPSA of 100.68 Ų falls within the moderate polarity range, balancing permeability and solubility for CI 1044. Following Lipinski's Rule of Five, CI 1044 has 2 hydrogen bond donor(s) and 5 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 CI 1044?
The CAS number of CI 1044 is 197894-84-1.
What is the molecular formula of CI 1044?
The molecular formula of CI 1044 is C23H19N5O2.
What is the molecular weight of CI 1044?
The molecular weight of CI 1044 is 397.15 g/mol.
Where can I buy CI 1044?
You can request a quote for CI 1044 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for CI 1044?
Yes, KEHONG BIO provides custom synthesis services for CI 1044 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.