3-(乙酰氧基)-3-丁烯酸甲酯
TL;DR: 3-(乙酰氧基)-3-丁烯酸甲酯 (CAS 4525-23-9) is a chemical compound with molecular formula C7H10O4 and molecular weight 158.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-(乙酰氧基)-3-丁烯酸甲酯
methyl 3-acetyloxybut-3-enoate
Also Known As: Methyl 3-(acetoxy)-3-butenoate, methyl 3-acetoxybut-3-enoate, methyl3- -3-butenoate, methyl 3-acetyloxybut-3-enoate, Methyl 3-(acetyloxy)-3-butenoate
| Molecular Formula | C7H10O4 |
|---|---|
| Molecular Weight | 158.06 g/mol |
| LogP | 0.4 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 158.0579 |
| Heavy Atoms | 11 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 4525-23-9 |
|---|---|
| SMILES | CC(=O)OC(=C)CC(=O)OC |
| InChIKey | RSUXDGSAMUJZNI-UHFFFAOYSA-N |
Product Overview
3-(乙酰氧基)-3-丁烯酸甲酯 (CAS 4525-23-9), with molecular formula C7H10O4 and molecular weight 158.06 g/mol. IUPAC: methyl 3-acetyloxybut-3-enoate.
Chemical Property Profile of 3-(乙酰氧基)-3-丁烯酸甲酯
Property Insights of 3-(乙酰氧基)-3-丁烯酸甲酯
The XLogP value of 0.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-(乙酰氧基)-3-丁烯酸甲酯. With a topological polar surface area (TPSA) of 52.6 Ų, 3-(乙酰氧基)-3-丁烯酸甲酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(乙酰氧基)-3-丁烯酸甲酯 has 0 hydrogen bond donor(s) and 4 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 3-(乙酰氧基)-3-丁烯酸甲酯?
The CAS number of 3-(乙酰氧基)-3-丁烯酸甲酯 is 4525-23-9.
What is the molecular formula of 3-(乙酰氧基)-3-丁烯酸甲酯?
The molecular formula of 3-(乙酰氧基)-3-丁烯酸甲酯 is C7H10O4.
What is the molecular weight of 3-(乙酰氧基)-3-丁烯酸甲酯?
The molecular weight of 3-(乙酰氧基)-3-丁烯酸甲酯 is 158.06 g/mol.
Where can I buy 3-(乙酰氧基)-3-丁烯酸甲酯?
You can request a quote for 3-(乙酰氧基)-3-丁烯酸甲酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(乙酰氧基)-3-丁烯酸甲酯?
Yes, KEHONG BIO provides custom synthesis services for 3-(乙酰氧基)-3-丁烯酸甲酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.