RefChem:421004
TL;DR: RefChem:421004 (CAS 618383-68-9) is a chemical compound with molecular formula C22H27N5O5 and molecular weight 441.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
7-[2-(2-hydroxyethoxy)ethyl]-6-imino-11-methyl-2-oxo-N-(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: 1-(2-(2-hydroxyethoxy)ethyl)-2-imino-10-methyl-5-oxo-N-((tetrahydrofuran-2-yl)methyl)-2,5-dihydro-1H-dipyrido[1,2-a:2',3'-d]pyrimidine-3-carboxamide, F1423-3536, 1-(2-(2-HYDROXYETHOXY)ETHYL)-2-IMINO-10-METHYL-5-OXO-N-(TETRAHYDRO-2-FUR ANYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO(1,2-A:2,3-D)PYRIMIDINE-3-CARBOXAMIDE, 1-[2-(2-Hydroxyethoxy)ethyl]-2-imino-10-methyl-5-oxo-N-(tetrahydro-2-fur anylmethyl)-1,5-dihydro-2H-dipyrido[1,2-A:2,3-D]pyrimidine-3-carboxamide, 1-[2-(2-HYDROXYETHOXY)ETHYL]-2-IMINO-10-METHYL-5-OXO-N-(TETRAHYDRO-2-FURANYLMETHYL)-1,5-DIHYDRO-2H-DIPYRIDO[1,2-A:2,3-D]PYRIMIDINE-3-CARBOXAMIDE
| Molecular Formula | C22H27N5O5 |
|---|---|
| Molecular Weight | 441.20 g/mol |
| LogP | 0.35479 |
| Topological Polar Surface Area | 130.94 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 441.20123 |
| Heavy Atoms | 32 |
| Complexity | 1259.5122 |
Chemical Identifiers
| CAS Number | 618383-68-9 |
|---|---|
| SMILES | CC1=CC=CN2C1=NC3=C(C2=O)C=C(C(=N)N3CCOCCO)C(=O)NCC4CCCO4 |
Product Overview
RefChem:421004 (CAS 618383-68-9), with molecular formula C22H27N5O5 and molecular weight 441.20 g/mol. IUPAC: 7-[2-(2-hydroxyethoxy)ethyl]-6-imino-11-methyl-2-oxo-N-(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 RefChem:421004
Property Insights of RefChem:421004
The XLogP value of 0.35479 suggests moderate lipophilicity, balancing water solubility and membrane permeability for RefChem:421004. The TPSA of 130.94 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:421004. Following Lipinski's Rule of Five, RefChem:421004 has 3 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 RefChem:421004?
The CAS number of RefChem:421004 is 618383-68-9.
What is the molecular formula of RefChem:421004?
The molecular formula of RefChem:421004 is C22H27N5O5.
What is the molecular weight of RefChem:421004?
The molecular weight of RefChem:421004 is 441.20 g/mol.
Where can I buy RefChem:421004?
You can request a quote for RefChem:421004 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:421004?
Yes, KEHONG BIO provides custom synthesis services for RefChem:421004 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.