2,2-二氯-3-氧代丁酸甲酯
TL;DR: 2,2-二氯-3-氧代丁酸甲酯 (CAS 6134-69-6) is a chemical compound with molecular formula C5H6Cl2O3 and molecular weight 183.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-二氯-3-氧代丁酸甲酯
methyl 2,2-dichloro-3-oxobutanoate
Also Known As: Methyl 2,2-dichloroacetoacetate, methyl 2,2-dichloro-3-oxobutanoate, 2,2-Dichloroacetoacetic acid methyl ester, Butanoic acid, 2,2-dichloro-3-oxo-, methyl ester, 2,2-Dichloro-3-oxobutanoic acid methyl ester
| Molecular Formula | C5H6Cl2O3 |
|---|---|
| Molecular Weight | 183.97 g/mol |
| LogP | 1.2 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 183.9694 |
| Heavy Atoms | 10 |
| Complexity | 164.0 |
Chemical Identifiers
| CAS Number | 6134-69-6 |
|---|---|
| SMILES | CC(=O)C(C(=O)OC)(Cl)Cl |
| InChIKey | ACSFRJMUABMPHG-UHFFFAOYSA-N |
Product Overview
2,2-二氯-3-氧代丁酸甲酯 (CAS 6134-69-6), with molecular formula C5H6Cl2O3 and molecular weight 183.97 g/mol. IUPAC: methyl 2,2-dichloro-3-oxobutanoate.
Chemical Property Profile of 2,2-二氯-3-氧代丁酸甲酯
Property Insights of 2,2-二氯-3-氧代丁酸甲酯
The XLogP value of 1.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-二氯-3-氧代丁酸甲酯. With a topological polar surface area (TPSA) of 43.4 Ų, 2,2-二氯-3-氧代丁酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-二氯-3-氧代丁酸甲酯 has 0 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 2,2-二氯-3-氧代丁酸甲酯?
The CAS number of 2,2-二氯-3-氧代丁酸甲酯 is 6134-69-6.
What is the molecular formula of 2,2-二氯-3-氧代丁酸甲酯?
The molecular formula of 2,2-二氯-3-氧代丁酸甲酯 is C5H6Cl2O3.
What is the molecular weight of 2,2-二氯-3-氧代丁酸甲酯?
The molecular weight of 2,2-二氯-3-氧代丁酸甲酯 is 183.97 g/mol.
Where can I buy 2,2-二氯-3-氧代丁酸甲酯?
You can request a quote for 2,2-二氯-3-氧代丁酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二氯-3-氧代丁酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二氯-3-氧代丁酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.