RefChem:594429
TL;DR: RefChem:594429 (CAS 500147-68-2) is a chemical compound with molecular formula C18H20N4O3 and molecular weight 340.15 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-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate
Also Known As: BAS 04995752, Ethyl 2-imino-10-methyl-5-oxo-1-propyl-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxylate, ethyl 2-imino-10-methyl-5-oxo-1-propyl-1,5-dihydro-2H-dipyrido[1,2-a:2,3-d]pyrimidine-3-carboxylate, 638-660-2, ETHYL 2-IMINO-10-METHYL-5-OXO-1-PROPYL-1,5-DIHYDRO-2H-DIPYRIDO(1,2-A:2,3-D)PYRIMIDINE-3-CARBOXYLATE
| Molecular Formula | C18H20N4O3 |
|---|---|
| Molecular Weight | 340.15 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 86.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 5 |
| Exact Mass | 340.15353 |
| Heavy Atoms | 25 |
| Complexity | 814.0 |
Chemical Identifiers
| CAS Number | 500147-68-2 |
|---|---|
| SMILES | CCCN1C2=C(C=C(C1=N)C(=O)OCC)C(=O)N3C=CC=C(C3=N2)C |
| InChIKey | UCGIHIJBLPQGTO-UHFFFAOYSA-N |
Product Overview
RefChem:594429 (CAS 500147-68-2), with molecular formula C18H20N4O3 and molecular weight 340.15 g/mol. IUPAC: ethyl 6-imino-11-methyl-2-oxo-7-propyl-1,7,9-triazatricyclo[8.4.0.03,8]tetradeca-3(8),4,9,11,13-pentaene-5-carboxylate.
Chemical Property Profile of RefChem:594429
Property Insights of RefChem:594429
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:594429. The TPSA of 86.1 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:594429. Following Lipinski's Rule of Five, RefChem:594429 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 RefChem:594429?
The CAS number of RefChem:594429 is 500147-68-2.
What is the molecular formula of RefChem:594429?
The molecular formula of RefChem:594429 is C18H20N4O3.
What is the molecular weight of RefChem:594429?
The molecular weight of RefChem:594429 is 340.15 g/mol.
Where can I buy RefChem:594429?
You can request a quote for RefChem:594429 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:594429?
Yes, KEHONG BIO provides custom synthesis services for RefChem:594429 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.