ChemDiv3_004425
TL;DR: ChemDiv3_004425 (CAS 690695-77-3) is a chemical compound with molecular formula C24H24N6O2 and molecular weight 428.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-6-imino-2-oxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: ChemDiv3_004425, BAS 04995552, IDI1_022335, BRD-K24622801-001-01-7, BRD-K24622801-001-05-8
| Molecular Formula | C24H24N6O2 |
|---|---|
| Molecular Weight | 428.20 g/mol |
| LogP | 2.63447 |
| Topological Polar Surface Area | 105.14 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 4 |
| Exact Mass | 428.19608 |
| Heavy Atoms | 32 |
| Complexity | 1417.8977 |
Chemical Identifiers
| CAS Number | 690695-77-3 |
|---|---|
| SMILES | C1CCC(CC1)NC(=O)C2=CC3=C(N=C4C=CC=CN4C3=O)N(C2=N)CC5=CN=CC=C5 |
Product Overview
ChemDiv3_004425 (CAS 690695-77-3), with molecular formula C24H24N6O2 and molecular weight 428.20 g/mol. IUPAC: N-cyclohexyl-6-imino-2-oxo-7-(pyridin-3-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of ChemDiv3_004425
Property Insights of ChemDiv3_004425
The XLogP value of 2.63447 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004425. The TPSA of 105.14 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004425. Following Lipinski's Rule of Five, ChemDiv3_004425 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 ChemDiv3_004425?
The CAS number of ChemDiv3_004425 is 690695-77-3.
What is the molecular formula of ChemDiv3_004425?
The molecular formula of ChemDiv3_004425 is C24H24N6O2.
What is the molecular weight of ChemDiv3_004425?
The molecular weight of ChemDiv3_004425 is 428.20 g/mol.
Where can I buy ChemDiv3_004425?
You can request a quote for ChemDiv3_004425 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004425?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004425 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.