3-(Hexoxycarbonylmethyl)-2, hexyl ester
TL;DR: 3-(Hexoxycarbonylmethyl)-2, hexyl ester (CAS 33641-39-3) is a chemical compound with molecular formula C21H38O4 and molecular weight 354.28 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
trans-hexyl (1S,3R)-3-(2-hexoxy-2-oxoethyl)-2,2-dimethylcyclobutane-1-carboxylate
Also Known As: Pinic acid, Dihexyl ester, 3-(HEXOXYCARBONYLMETHYL)-2, HEXYL ESTER, hexyl(1s,3r)-3-[2-(hexyloxy)-2-oxoethyl]-2,2-dimethylcyclobutanecarboxylate, Cyclobutaneacetic acid,3-carboxy-2,2-dimethyl-, dihexyl ester (6CI,8CI), hexyl (1S,3R)-3-(2-hexoxy-2-oxoethyl)-2,2-dimethylcyclobutane-1-carboxylate
| Molecular Formula | C21H38O4 |
|---|---|
| Molecular Weight | 354.28 g/mol |
| LogP | 6.2 |
| Topological Polar Surface Area | 52.6 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 15 |
| Exact Mass | 354.277 |
| Heavy Atoms | 25 |
| Complexity | 403.0 |
Chemical Identifiers
| CAS Number | 33641-39-3 |
|---|---|
| SMILES | CCCCCCOC(=O)C[C@H]1C[C@@H](C1(C)C)C(=O)OCCCCCC |
| InChIKey | LQWWBUISXKONLQ-QZTJIDSGSA-N |
Product Overview
3-(Hexoxycarbonylmethyl)-2, hexyl ester (CAS 33641-39-3), with molecular formula C21H38O4 and molecular weight 354.28 g/mol. IUPAC: trans-hexyl (1S,3R)-3-(2-hexoxy-2-oxoethyl)-2,2-dimethylcyclobutane-1-carboxylate.
Chemical Property Profile of 3-(Hexoxycarbonylmethyl)-2, hexyl ester
Property Insights of 3-(Hexoxycarbonylmethyl)-2, hexyl ester
The XLogP value of 6.2 indicates that 3-(Hexoxycarbonylmethyl)-2, hexyl ester is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.6 Ų, 3-(Hexoxycarbonylmethyl)-2, hexyl ester exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-(Hexoxycarbonylmethyl)-2, hexyl ester has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 3-(Hexoxycarbonylmethyl)-2, hexyl ester?
The CAS number of 3-(Hexoxycarbonylmethyl)-2, hexyl ester is 33641-39-3.
What is the molecular formula of 3-(Hexoxycarbonylmethyl)-2, hexyl ester?
The molecular formula of 3-(Hexoxycarbonylmethyl)-2, hexyl ester is C21H38O4.
What is the molecular weight of 3-(Hexoxycarbonylmethyl)-2, hexyl ester?
The molecular weight of 3-(Hexoxycarbonylmethyl)-2, hexyl ester is 354.28 g/mol.
Where can I buy 3-(Hexoxycarbonylmethyl)-2, hexyl ester?
You can request a quote for 3-(Hexoxycarbonylmethyl)-2, hexyl ester directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-(Hexoxycarbonylmethyl)-2, hexyl ester?
Yes, KEHONG BIO provides custom synthesis services for 3-(Hexoxycarbonylmethyl)-2, hexyl ester and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.