3-Methylbutyl 1-hydroxycyclopentanecarboxylate
TL;DR: 3-Methylbutyl 1-hydroxycyclopentanecarboxylate (CAS 91679-36-6) is a chemical compound with molecular formula C11H20O3 and molecular weight 200.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-methylbutyl 1-hydroxycyclopentane-1-carboxylate
Also Known As: 3-methylbutyl 1-hydroxycyclopentanecarboxylate, 3-methylbutyl 1-hydroxycyclopentane-1-carboxylate
| Molecular Formula | C11H20O3 |
|---|---|
| Molecular Weight | 200.14 g/mol |
| LogP | 2.2 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 200.14125 |
| Heavy Atoms | 14 |
| Complexity | 193.0 |
Chemical Identifiers
| CAS Number | 91679-36-6 |
|---|---|
| SMILES | CC(C)CCOC(=O)C1(CCCC1)O |
| InChIKey | QPCAMOSHLHFZLJ-UHFFFAOYSA-N |
Product Overview
3-Methylbutyl 1-hydroxycyclopentanecarboxylate (CAS 91679-36-6), with molecular formula C11H20O3 and molecular weight 200.14 g/mol. IUPAC: 3-methylbutyl 1-hydroxycyclopentane-1-carboxylate.
Chemical Property Profile of 3-Methylbutyl 1-hydroxycyclopentanecarboxylate
Property Insights of 3-Methylbutyl 1-hydroxycyclopentanecarboxylate
The XLogP value of 2.2 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-Methylbutyl 1-hydroxycyclopentanecarboxylate. With a topological polar surface area (TPSA) of 46.5 Ų, 3-Methylbutyl 1-hydroxycyclopentanecarboxylate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-Methylbutyl 1-hydroxycyclopentanecarboxylate has 1 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 3-Methylbutyl 1-hydroxycyclopentanecarboxylate?
The CAS number of 3-Methylbutyl 1-hydroxycyclopentanecarboxylate is 91679-36-6.
What is the molecular formula of 3-Methylbutyl 1-hydroxycyclopentanecarboxylate?
The molecular formula of 3-Methylbutyl 1-hydroxycyclopentanecarboxylate is C11H20O3.
What is the molecular weight of 3-Methylbutyl 1-hydroxycyclopentanecarboxylate?
The molecular weight of 3-Methylbutyl 1-hydroxycyclopentanecarboxylate is 200.14 g/mol.
Where can I buy 3-Methylbutyl 1-hydroxycyclopentanecarboxylate?
You can request a quote for 3-Methylbutyl 1-hydroxycyclopentanecarboxylate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-Methylbutyl 1-hydroxycyclopentanecarboxylate?
Yes, KEHONG BIO provides custom synthesis services for 3-Methylbutyl 1-hydroxycyclopentanecarboxylate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.