2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate
TL;DR: 2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate (CAS 69502-99-4) is a chemical compound with molecular formula C17H28O6 and molecular weight 328.19 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5-methyl-2-propan-2-ylcyclohexyl) 2,3-diacetyloxypropanoate
Also Known As: 2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate, 2,3-Bis propanoicacid5-methyl-2-isopropylcyclohexylester, 5-methyl-2-(propan-2-yl)cyclohexyl 2,3-bis(acetyloxy)propanoate, (5-methyl-2-propan-2-ylcyclohexyl) 2,3-diacetyloxypropanoate, 2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate #
| Molecular Formula | C17H28O6 |
|---|---|
| Molecular Weight | 328.19 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 78.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 9 |
| Exact Mass | 328.1886 |
| Heavy Atoms | 23 |
| Complexity | 431.0 |
Chemical Identifiers
| CAS Number | 69502-99-4 |
|---|---|
| SMILES | CC1CCC(C(C1)OC(=O)C(COC(=O)C)OC(=O)C)C(C)C |
| InChIKey | UTLHWAMQPOGISR-UHFFFAOYSA-N |
Product Overview
2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate (CAS 69502-99-4), with molecular formula C17H28O6 and molecular weight 328.19 g/mol. IUPAC: (5-methyl-2-propan-2-ylcyclohexyl) 2,3-diacetyloxypropanoate.
Chemical Property Profile of 2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate
Property Insights of 2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate
The XLogP value of 3.4 indicates that 2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 78.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate. Following Lipinski's Rule of Five, 2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate has 0 hydrogen bond donor(s) and 6 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 2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate?
The CAS number of 2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate is 69502-99-4.
What is the molecular formula of 2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate?
The molecular formula of 2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate is C17H28O6.
What is the molecular weight of 2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate?
The molecular weight of 2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate is 328.19 g/mol.
Where can I buy 2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate?
You can request a quote for 2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate?
Yes, KEHONG BIO provides custom synthesis services for 2-Isopropyl-5-methylcyclohexyl 2,3-bis(acetyloxy)propanoate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.