5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin
TL;DR: 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin (CAS 84923-29-5) is a chemical compound with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-amino-4-methoxy-N-[8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide
Also Known As: 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin, 2-Amino-4-methoxy-N-(8-(m-methoxybenzyl)-3-beta-nortropanyl)-5-pyrimidinecarboxamide, 5-Pyrimidinecarboxamide, 2-amino-4-methoxy-N-(8-(m-methoxybenzyl)-3-beta-nortropanyl)-, 2-amino-4-methoxy-N-[8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-5-carboxamide, 2-Imino-4-methoxy-N-{8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl}-1,2-dihydropyrimidine-5-carboximidic acid
| Molecular Formula | C21H27N5O3 |
|---|---|
| Molecular Weight | 397.21 g/mol |
| LogP | 2.0014 |
| Topological Polar Surface Area | 102.6 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 6 |
| Exact Mass | 397.2114 |
| Heavy Atoms | 29 |
| Complexity | 876.3703 |
Chemical Identifiers
| CAS Number | 84923-29-5 |
|---|---|
| SMILES | COC1=CC=CC(=C1)CN2C3CCC2CC(C3)NC(=O)C4=CN=C(N=C4OC)N |
Product Overview
5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin (CAS 84923-29-5), with molecular formula C21H27N5O3 and molecular weight 397.21 g/mol. IUPAC: 2-amino-4-methoxy-N-[8-[(3-methoxyphenyl)methyl]-8-azabicyclo[3.2.1]octan-3-yl]pyrimidine-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 2.0014 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin. The TPSA of 102.6 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 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 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin?
The CAS number of 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin is 84923-29-5.
What is the molecular formula of 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin?
The molecular formula of 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin is C21H27N5O3.
What is the molecular weight of 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin?
The molecular weight of 5-Carbethoxy-4-ethoxy-2-methylthiopyrimidin is 397.21 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.