RefChem:473591
TL;DR: RefChem:473591 (CAS 609794-53-8) is a chemical compound with molecular formula C28H32N6O3 and molecular weight 500.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
6-imino-11-methyl-7-(3-morpholin-4-ylpropyl)-2-oxo-N-(1-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide
Also Known As: 2-Imino-10-methyl-1-(3-morpholinopropyl)-5-oxo-N-(1-phenylethyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, 2-IMINO-10-METHYL-1-[3-(4-MORPHOLINYL)PROPYL]-5-OXO-N-(1-PHENYLETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE, 2-Imino-10-methyl-1-(3-(4-morpholinyl)propyl)-5-oxo-N-(1-phenylethyl)-1,5-dihydro-2H-dipyrido(1,2-A:2,3-D)pyrimidine-3-carboxamide, 2-IMINO-10-METHYL-1-[3-(4-MORPHOLINYL)PROPYL]-5-OXO-N-(1-PHENYLETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2',3'-D]PYRIMIDINE-3-CARBOXAMIDE, 2-imino-10-methyl-1-[3-(morpholin-4-yl)propyl]-5-oxo-N-(1-phenylethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide
| Molecular Formula | C28H32N6O3 |
|---|---|
| Molecular Weight | 500.25 g/mol |
| LogP | 2.65039 |
| Topological Polar Surface Area | 104.72 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 7 |
| Exact Mass | 500.2536 |
| Heavy Atoms | 37 |
| Complexity | 1554.026 |
Chemical Identifiers
| CAS Number | 609794-53-8 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCCN4CCOCC4)C(=O)NC(C)C5=CC=CC=C5 |
Product Overview
RefChem:473591 (CAS 609794-53-8), with molecular formula C28H32N6O3 and molecular weight 500.25 g/mol. IUPAC: 6-imino-11-methyl-7-(3-morpholin-4-ylpropyl)-2-oxo-N-(1-phenylethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxamide.
Chemical Property Profile of RefChem:473591
Property Insights of RefChem:473591
The XLogP value of 2.65039 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:473591. The TPSA of 104.72 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:473591. Following Lipinski's Rule of Five, RefChem:473591 has 2 hydrogen bond donor(s) and 6 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:473591?
The CAS number of RefChem:473591 is 609794-53-8.
What is the molecular formula of RefChem:473591?
The molecular formula of RefChem:473591 is C28H32N6O3.
What is the molecular weight of RefChem:473591?
The molecular weight of RefChem:473591 is 500.25 g/mol.
Where can I buy RefChem:473591?
You can request a quote for RefChem:473591 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:473591?
Yes, KEHONG BIO provides custom synthesis services for RefChem:473591 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.