5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin
TL;DR: 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin (CAS 84923-35-3) is a chemical compound with molecular formula C20H24ClN5O2 and molecular weight 401.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-N-[8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrimidine-5-carboxamide
Also Known As: 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin, 2-Amino-N-(8-(o-chlorobenzyl)-3-beta-nortropanyl)-4-methoxy-5-pyrimidinecarboxamide, 5-Pyrimidinecarboxamide, 2-amino-N-(8-(o-chlorobenzyl)-3-beta-nortropanyl)-4-methoxy-, 2-amino-N-[8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrimidine-5-carboxamide, N-{8-[(2-Chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl}-2-imino-4-methoxy-1,2-dihydropyrimidine-5-carboximidic acid
| Molecular Formula | C20H24ClN5O2 |
|---|---|
| Molecular Weight | 401.16 g/mol |
| LogP | 2.6462 |
| Topological Polar Surface Area | 93.37 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 5 |
| Exact Mass | 401.16187 |
| Heavy Atoms | 28 |
| Complexity | 863.4246 |
Chemical Identifiers
| CAS Number | 84923-35-3 |
|---|---|
| SMILES | COC1=NC(=NC=C1C(=O)NC2CC3CCC(C2)N3CC4=CC=CC=C4Cl)N |
Product Overview
5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin (CAS 84923-35-3), with molecular formula C20H24ClN5O2 and molecular weight 401.16 g/mol. IUPAC: 2-amino-N-[8-[(2-chlorophenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]-4-methoxypyrimidine-5-carboxamide.
Chemical Property Profile of 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin
Property Insights of 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin
The XLogP value of 2.6462 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin. The TPSA of 93.37 Ų falls within the moderate polarity range, balancing permeability and solubility for 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin. Following Lipinski's Rule of Five, 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin has 2 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 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin?
The CAS number of 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin is 84923-35-3.
What is the molecular formula of 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin?
The molecular formula of 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin is C20H24ClN5O2.
What is the molecular weight of 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin?
The molecular weight of 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin is 401.16 g/mol.
Where can I buy 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin?
You can request a quote for 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin?
Yes, KEHONG BIO provides custom synthesis services for 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.