ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla
TL;DR: ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla (CAS 616-97-7) is a chemical compound with molecular formula C15H23ClN4O4S and molecular weight 390.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl [2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]sulfanylformate;hydrochloride
Also Known As: ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla
| Molecular Formula | C15H23ClN4O4S |
|---|---|
| Molecular Weight | 390.11 g/mol |
| LogP | 2.25 |
| Topological Polar Surface Area | 144.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 9 |
| Exact Mass | 390.11285 |
| Heavy Atoms | 25 |
| Complexity | 461.0 |
Chemical Identifiers
| CAS Number | 616-97-7 |
|---|---|
| SMILES | CCOC(=O)SC(=C(C)N(CC1=CN=C(N=C1N)C)C=O)CCO.Cl |
| InChIKey | HIZLKYGCESXZCL-UHFFFAOYSA-N |
Product Overview
ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla (CAS 616-97-7), with molecular formula C15H23ClN4O4S and molecular weight 390.11 g/mol. IUPAC: ethyl [2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formylamino]-5-hydroxypent-2-en-3-yl]sulfanylformate;hydrochloride.
Chemical Property Profile of ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla
Property Insights of ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla
The XLogP value of 2.25 suggests moderate lipophilicity, balancing water solubility and membrane permeability for ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla. The TPSA of 144.0 Ų indicates high polarity, suggesting ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla has 3 hydrogen bond donor(s) and 8 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 ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla?
The CAS number of ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla is 616-97-7.
What is the molecular formula of ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla?
The molecular formula of ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla is C15H23ClN4O4S.
What is the molecular weight of ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla?
The molecular weight of ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla is 390.11 g/mol.
Where can I buy ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla?
You can request a quote for ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla?
Yes, KEHONG BIO provides custom synthesis services for ethyl [(E)-2-[(4-amino-2-methylpyrimidin-5-yl)methyl-formyla and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.