Methyl 3-sec-butyl-3-methylglycidate
TL;DR: Methyl 3-sec-butyl-3-methylglycidate (CAS 72569-66-5) is a chemical compound with molecular formula C9H16O3 and molecular weight 172.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 3-butan-2-yl-3-methyloxirane-2-carboxylate
Also Known As: Methyl 3-sec-butyl-3-methylglycidate, Glycidic acid, methyl ester, Methyl3-sec-butyl-3-methylglycidate, Oxiranecarboxylic acid, methyl ester, 3-sec-Butyl-3-methylglycidic acid methyl ester
| Molecular Formula | C9H16O3 |
|---|---|
| Molecular Weight | 172.11 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 38.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 172.10994 |
| Heavy Atoms | 12 |
| Complexity | 190.0 |
Chemical Identifiers
| CAS Number | 72569-66-5 |
|---|---|
| SMILES | CCC(C)C1(C(O1)C(=O)OC)C |
| InChIKey | YXFJXZHEINXRQW-UHFFFAOYSA-N |
Product Overview
Methyl 3-sec-butyl-3-methylglycidate (CAS 72569-66-5), with molecular formula C9H16O3 and molecular weight 172.11 g/mol. IUPAC: methyl 3-butan-2-yl-3-methyloxirane-2-carboxylate.
Chemical Property Profile of Methyl 3-sec-butyl-3-methylglycidate
Property Insights of Methyl 3-sec-butyl-3-methylglycidate
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Methyl 3-sec-butyl-3-methylglycidate. With a topological polar surface area (TPSA) of 38.8 Ų, Methyl 3-sec-butyl-3-methylglycidate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Methyl 3-sec-butyl-3-methylglycidate 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 Methyl 3-sec-butyl-3-methylglycidate?
The CAS number of Methyl 3-sec-butyl-3-methylglycidate is 72569-66-5.
What is the molecular formula of Methyl 3-sec-butyl-3-methylglycidate?
The molecular formula of Methyl 3-sec-butyl-3-methylglycidate is C9H16O3.
What is the molecular weight of Methyl 3-sec-butyl-3-methylglycidate?
The molecular weight of Methyl 3-sec-butyl-3-methylglycidate is 172.11 g/mol.
Where can I buy Methyl 3-sec-butyl-3-methylglycidate?
You can request a quote for Methyl 3-sec-butyl-3-methylglycidate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Methyl 3-sec-butyl-3-methylglycidate?
Yes, KEHONG BIO provides custom synthesis services for Methyl 3-sec-butyl-3-methylglycidate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.