RefChem:500751
TL;DR: RefChem:500751 (CAS 72727-55-0) is a chemical compound with molecular formula C18H30O2 and molecular weight 278.22 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-methylpropyl 1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate
Also Known As: 2-Methylpropyl 1-methyl-4-(4-methyl-3-pentenyl)cyclohex-3-ene-1-carboxylate, 1-Methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylic acid, 2-methylpropyl ester, 3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-penten-1-yl)-, 2-methylpropyl ester, 3-Cyclohexene-1-carboxylic acid, 1-methyl-4-(4-methyl-3-pentenyl)-, 2-methylpropyl ester, 2-methylpropyl 1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate
| Molecular Formula | C18H30O2 |
|---|---|
| Molecular Weight | 278.22 g/mol |
| LogP | 5.1 |
| Topological Polar Surface Area | 26.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 7 |
| Exact Mass | 278.22458 |
| Heavy Atoms | 20 |
| Complexity | 386.0 |
Chemical Identifiers
| CAS Number | 72727-55-0 |
|---|---|
| SMILES | CC(C)COC(=O)C1(CCC(=CC1)CCC=C(C)C)C |
| InChIKey | CBAABHLYEHHMIM-UHFFFAOYSA-N |
Product Overview
RefChem:500751 (CAS 72727-55-0), with molecular formula C18H30O2 and molecular weight 278.22 g/mol. IUPAC: 2-methylpropyl 1-methyl-4-(4-methylpent-3-enyl)cyclohex-3-ene-1-carboxylate.
Chemical Property Profile of RefChem:500751
Property Insights of RefChem:500751
The XLogP value of 5.1 indicates that RefChem:500751 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 26.3 Ų, RefChem:500751 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:500751 has 0 hydrogen bond donor(s) and 2 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of RefChem:500751?
The CAS number of RefChem:500751 is 72727-55-0.
What is the molecular formula of RefChem:500751?
The molecular formula of RefChem:500751 is C18H30O2.
What is the molecular weight of RefChem:500751?
The molecular weight of RefChem:500751 is 278.22 g/mol.
Where can I buy RefChem:500751?
You can request a quote for RefChem:500751 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:500751?
Yes, KEHONG BIO provides custom synthesis services for RefChem:500751 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.