RefChem:594428
TL;DR: RefChem:594428 (CAS 618077-74-0) is a chemical compound with molecular formula C20H22N4O4 and molecular weight 382.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 6-imino-11-methyl-2-oxo-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: SALOR-INT L431419-1EA, BAS 04995380, Ethyl 2-imino-10-methyl-5-oxo-1-((tetrahydrofuran-2-yl)methyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl 2-imino-10-methyl-5-oxo-1-(tetrahydro-2-furanylmethyl)-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate, 645-937-1
| Molecular Formula | C20H22N4O4 |
|---|---|
| Molecular Weight | 382.16 g/mol |
| LogP | 1.79279 |
| Topological Polar Surface Area | 98.68 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 382.1641 |
| Heavy Atoms | 28 |
| Complexity | 1188.726 |
Chemical Identifiers
| CAS Number | 618077-74-0 |
|---|---|
| SMILES | CCOC(=O)C1=CC2=C(N=C3C(=CC=CN3C2=O)C)N(C1=N)CC4CCCO4 |
Product Overview
RefChem:594428 (CAS 618077-74-0), with molecular formula C20H22N4O4 and molecular weight 382.16 g/mol. IUPAC: ethyl 6-imino-11-methyl-2-oxo-7-(oxolan-2-ylmethyl)-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of RefChem:594428
Property Insights of RefChem:594428
The XLogP value of 1.79279 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:594428. The TPSA of 98.68 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:594428. Following Lipinski's Rule of Five, RefChem:594428 has 1 hydrogen bond donor(s) and 6 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 RefChem:594428?
The CAS number of RefChem:594428 is 618077-74-0.
What is the molecular formula of RefChem:594428?
The molecular formula of RefChem:594428 is C20H22N4O4.
What is the molecular weight of RefChem:594428?
The molecular weight of RefChem:594428 is 382.16 g/mol.
Where can I buy RefChem:594428?
You can request a quote for RefChem:594428 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:594428?
Yes, KEHONG BIO provides custom synthesis services for RefChem:594428 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.