甲硫氨酰丁酸酯
TL;DR: 甲硫氨酰丁酸酯 (CAS 16630-60-7) is a chemical compound with molecular formula C8H16O2S and molecular weight 176.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
甲硫氨酰丁酸酯
3-methylsulfanylpropyl butanoate
Also Known As: Methionyl butyrate, 3-(Methylthio)propyl butyrate, 3-methylsulfanylpropyl butanoate, 3-(METHYLSULFANYL)PROPYL BUTANOATE, 3-(methylthio)propyl butanoate
| Molecular Formula | C8H16O2S |
|---|---|
| Molecular Weight | 176.09 g/mol |
| LogP | 2.0 |
| Topological Polar Surface Area | 51.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 176.0871 |
| Heavy Atoms | 11 |
| Complexity | 104.0 |
| Boiling Point | 232.00 °C. @ 760.00 mm Hg |
| Density | 0.995-1.001 |
| Solubility | Practically insoluble to insoluble in water |
| Refractive Index | 1.458-1.463 |
Chemical Identifiers
| CAS Number | 16630-60-7 |
|---|---|
| SMILES | CCCC(=O)OCCCSC |
| InChIKey | HSCZLQOPSGMKTK-UHFFFAOYSA-N |
Product Overview
甲硫氨酰丁酸酯 (CAS 16630-60-7), with molecular formula C8H16O2S and molecular weight 176.09 g/mol. IUPAC: 3-methylsulfanylpropyl butanoate.
Chemical Property Profile of 甲硫氨酰丁酸酯
Property Insights of 甲硫氨酰丁酸酯
The XLogP value of 2.0 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 甲硫氨酰丁酸酯. With a topological polar surface area (TPSA) of 51.6 Ų, 甲硫氨酰丁酸酯 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 甲硫氨酰丁酸酯 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 甲硫氨酰丁酸酯?
The CAS number of 甲硫氨酰丁酸酯 is 16630-60-7.
What is the molecular formula of 甲硫氨酰丁酸酯?
The molecular formula of 甲硫氨酰丁酸酯 is C8H16O2S.
What is the molecular weight of 甲硫氨酰丁酸酯?
The molecular weight of 甲硫氨酰丁酸酯 is 176.09 g/mol.
Where can I buy 甲硫氨酰丁酸酯?
You can request a quote for 甲硫氨酰丁酸酯 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 甲硫氨酰丁酸酯?
Yes, KEHONG BIO provides custom synthesis services for 甲硫氨酰丁酸酯 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.