ChemDiv3_004555
TL;DR: ChemDiv3_004555 (CAS 879954-70-8) is a chemical compound with molecular formula C24H30N6O4 and molecular weight 466.23 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-13-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: ChemDiv3_004555, IDI1_022465, BRD-A26406344-001-01-9, 6-imino-13-methyl-N-[2-(morpholin-4-yl)ethyl]-2-oxo-7-[(oxolan-2-yl)methyl]-1,7,9-triazatricyclo[8.4.0.0^{3,8}]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide, 2-IMINO-8-METHYL-N-[2-(4-MORPHOLINYL)ETHYL]-5-OXO-1-(TETRAHYDRO-2-FURANYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE
| Molecular Formula | C24H30N6O4 |
|---|---|
| Molecular Weight | 466.23 g/mol |
| LogP | 0.67809 |
| Topological Polar Surface Area | 113.95 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 466.23285 |
| Heavy Atoms | 34 |
| Complexity | 1335.2714 |
Chemical Identifiers
| CAS Number | 879954-70-8 |
|---|---|
| SMILES | CC1=CN2C(=NC3=C(C2=O)C=C(C(=N)N3CC4CCCO4)C(=O)NCCN5CCOCC5)C=C1 |
Product Overview
ChemDiv3_004555 (CAS 879954-70-8), with molecular formula C24H30N6O4 and molecular weight 466.23 g/mol. IUPAC: 6-imino-13-methyl-N-(2-morpholin-4-ylethyl)-2-oxo-7-(oxolan-2-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_004555
Property Insights of ChemDiv3_004555
The XLogP value of 0.67809 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ChemDiv3_004555. The TPSA of 113.95 Ų falls within the moderate polarity range, balancing permeability and solubility for ChemDiv3_004555. Following Lipinski's Rule of Five, ChemDiv3_004555 has 2 hydrogen bond donor(s) and 7 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_004555?
The CAS number of ChemDiv3_004555 is 879954-70-8.
What is the molecular formula of ChemDiv3_004555?
The molecular formula of ChemDiv3_004555 is C24H30N6O4.
What is the molecular weight of ChemDiv3_004555?
The molecular weight of ChemDiv3_004555 is 466.23 g/mol.
Where can I buy ChemDiv3_004555?
You can request a quote for ChemDiv3_004555 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ChemDiv3_004555?
Yes, KEHONG BIO provides custom synthesis services for ChemDiv3_004555 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.