methyl 2-oxopentanoate
TL;DR: methyl 2-oxopentanoate (CAS 6376-62-1) is a chemical compound with molecular formula C17H22N2O2S and molecular weight 318.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 4-(4-tert-butylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate
Also Known As: methyl 2-oxopentanoate, AN-655/13672026, methyl 4-(4-tert-butylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate, METHYL 4-METHYL-2-SULFANYLIDENE-6-(4-TERT-BUTYLPHENYL)-3,6-DIHYDRO-1H-PYRIMIDINE-5-CARBOXYLATE, methyl 4-(4-tert-butylphenyl)-6-methyl-2-thioxo-1,2,3,4-tetrahydro-5-pyrimidinecarboxylate
| Molecular Formula | C17H22N2O2S |
|---|---|
| Molecular Weight | 318.14 g/mol |
| LogP | 2.9499 |
| Topological Polar Surface Area | 50.36 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 2 |
| Exact Mass | 318.1402 |
| Heavy Atoms | 22 |
| Complexity | 627.0542 |
Chemical Identifiers
| CAS Number | 6376-62-1 |
|---|---|
| SMILES | CC1=C(C(NC(=S)N1)C2=CC=C(C=C2)C(C)(C)C)C(=O)OC |
Product Overview
methyl 2-oxopentanoate (CAS 6376-62-1), with molecular formula C17H22N2O2S and molecular weight 318.14 g/mol. IUPAC: methyl 4-(4-tert-butylphenyl)-6-methyl-2-sulfanylidene-3,4-dihydro-1H-pyrimidine-5-carboxylate.
Chemical Property Profile of methyl 2-oxopentanoate
Property Insights of methyl 2-oxopentanoate
The XLogP value of 2.9499 suggests moderate lipophilicity, balancing water solubility and membrane permeability for methyl 2-oxopentanoate. With a topological polar surface area (TPSA) of 50.36 Ų, methyl 2-oxopentanoate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, methyl 2-oxopentanoate has 2 hydrogen bond donor(s) and 3 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 methyl 2-oxopentanoate?
The CAS number of methyl 2-oxopentanoate is 6376-62-1.
What is the molecular formula of methyl 2-oxopentanoate?
The molecular formula of methyl 2-oxopentanoate is C17H22N2O2S.
What is the molecular weight of methyl 2-oxopentanoate?
The molecular weight of methyl 2-oxopentanoate is 318.14 g/mol.
Where can I buy methyl 2-oxopentanoate?
You can request a quote for methyl 2-oxopentanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for methyl 2-oxopentanoate?
Yes, KEHONG BIO provides custom synthesis services for methyl 2-oxopentanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.