ChemDiv3_010544
TL;DR: ChemDiv3_010544 (CAS 902444-22-8) is a chemical compound with molecular formula C21H25N7O and molecular weight 391.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-cyclohexyl-4-(9-methyl-2,4,5,7,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-3-yl)butanamide
Also Known As: ChemDiv3_010544, BRD-K58760355-001-01-4, F6548-1798, N-cyclohexyl-4-{9-methyl-2,4,5,7,8,10-hexaazatetracyclo[10.4.0.0^{2,6}.0^{7,11}]hexadeca-1(16),3,5,8,10,12,14-heptaen-3-yl}butanamide, N-cyclohexyl-4-(10-methylbis[1,2,4]triazolo[1,5-c:4',3'-a]quinazolin-3-yl)butanamide
| Molecular Formula | C21H25N7O |
|---|---|
| Molecular Weight | 391.21 g/mol |
| LogP | 3.00522 |
| Topological Polar Surface Area | 89.48 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 391.21207 |
| Heavy Atoms | 29 |
| Complexity | 1186.1206 |
Chemical Identifiers
| CAS Number | 902444-22-8 |
|---|---|
| SMILES | CC1=NN2C(=N1)C3=CC=CC=C3N4C2=NN=C4CCCC(=O)NC5CCCCC5 |
Product Overview
ChemDiv3_010544 (CAS 902444-22-8), with molecular formula C21H25N7O and molecular weight 391.21 g/mol. IUPAC: N-cyclohexyl-4-(9-methyl-2,4,5,7,8,10-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,8,10,12,14-heptaen-3-yl)butanamide.
Chemical Property Profile of ChemDiv3_010544
Property Insights of ChemDiv3_010544
The XLogP value of 3.00522 indicates that ChemDiv3_010544 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 89.48 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_010544. Following Lipinski's Rule of Five, ChemDiv3_010544 has 1 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_010544?
The CAS number of ChemDiv3_010544 is 902444-22-8.
What is the molecular formula of ChemDiv3_010544?
The molecular formula of ChemDiv3_010544 is C21H25N7O.
What is the molecular weight of ChemDiv3_010544?
The molecular weight of ChemDiv3_010544 is 391.21 g/mol.
Where can I buy ChemDiv3_010544?
You can request a quote for ChemDiv3_010544 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_010544?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_010544 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.