1,3-dichloro-4-methoxy-butan-2-one
TL;DR: 1,3-dichloro-4-methoxy-butan-2-one (CAS 5929-78-2) is a chemical compound with molecular formula C26H34N4O5 and molecular weight 482.25 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
ethyl 4-[4-[2-(4-methoxyphenyl)acetyl]-3-methylpiperazine-1-carbonyl]-2-methyl-6-propylpyrimidine-5-carboxylate
Also Known As: 1,3-dichloro-4-methoxy-butan-2-one, ethyl 4-[4-[2-(4-methoxyphenyl)acetyl]-3-methylpiperazine-1-carbonyl]-2-methyl-6-propylpyrimidine-5-carboxylate, Ethyl 4-{4-[(4-methoxyphenyl)acetyl]-3-methylpiperazine-1-carbonyl}-2-methyl-6-propylpyrimidine-5-carboxylate, Ethyl 4-(4-(2-(4-methoxyphenyl)acetyl)-3-methylpiperazine-1-carbonyl)-2-methyl-6-propylpyrimidine-5-carboxylate, ETHYL 4-[4-[2-(4-METHOXYPHENYL)ACETYL]-3-METHYL-PIPERAZINE-1-CARBONYL]-2-METHYL-6-PROPYL-PYRIMIDINE-5-CARBOXYLATE
| Molecular Formula | C26H34N4O5 |
|---|---|
| Molecular Weight | 482.25 g/mol |
| LogP | 2.83842 |
| Topological Polar Surface Area | 101.93 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 7 |
| Rotatable Bonds | 8 |
| Exact Mass | 482.25293 |
| Heavy Atoms | 35 |
| Complexity | 1070.157 |
Chemical Identifiers
| CAS Number | 5929-78-2 |
|---|---|
| SMILES | CCCC1=C(C(=NC(=N1)C)C(=O)N2CCN(C(C2)C)C(=O)CC3=CC=C(C=C3)OC)C(=O)OCC |
Product Overview
1,3-dichloro-4-methoxy-butan-2-one (CAS 5929-78-2), with molecular formula C26H34N4O5 and molecular weight 482.25 g/mol. IUPAC: ethyl 4-[4-[2-(4-methoxyphenyl)acetyl]-3-methylpiperazine-1-carbonyl]-2-methyl-6-propylpyrimidine-5-carboxylate.
Chemical Property Profile of 1,3-dichloro-4-methoxy-butan-2-one
Property Insights of 1,3-dichloro-4-methoxy-butan-2-one
The XLogP value of 2.83842 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-dichloro-4-methoxy-butan-2-one. The TPSA of 101.93 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-dichloro-4-methoxy-butan-2-one. Following Lipinski's Rule of Five, 1,3-dichloro-4-methoxy-butan-2-one has 0 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 1,3-dichloro-4-methoxy-butan-2-one?
The CAS number of 1,3-dichloro-4-methoxy-butan-2-one is 5929-78-2.
What is the molecular formula of 1,3-dichloro-4-methoxy-butan-2-one?
The molecular formula of 1,3-dichloro-4-methoxy-butan-2-one is C26H34N4O5.
What is the molecular weight of 1,3-dichloro-4-methoxy-butan-2-one?
The molecular weight of 1,3-dichloro-4-methoxy-butan-2-one is 482.25 g/mol.
Where can I buy 1,3-dichloro-4-methoxy-butan-2-one?
You can request a quote for 1,3-dichloro-4-methoxy-butan-2-one directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-dichloro-4-methoxy-butan-2-one?
Yes, KEHONG BIO provides custom synthesis services for 1,3-dichloro-4-methoxy-butan-2-one and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.