EINECS 309-778-9
TL;DR: EINECS 309-778-9 (CAS 101012-79-7) is a chemical compound with molecular formula C31H54N2 and molecular weight 454.43 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-(3,3,5-trimethylcyclohexen-1-yl)-4-[3-[1-(3,5,5-trimethylcyclohexen-1-yl)piperidin-4-yl]propyl]piperidine
Also Known As: 3-(1-hydroxyethylidene)-3H-benzofuran-2-one, 1-(3,3,5-TRIMETHYL-1-CYCLOHEXEN-1-YL)-4-[3-[1-(3,5,5-TRIMETHYL-1-CYCLOHEXEN-1-YL)-4-PIPERIDYL]PROPYL]PIPERIDINE, 1-(3,3,5-trimethylcyclohexen-1-yl)-4-[3-[1-(3,5,5-trimethylcyclohexen-1-yl)piperidin-4-yl]propyl]piperidine, 1-(3,3,5-Trimethyl-1-cyclohexen-1-yl)-4-(3-(1-(3,5,5-trimethyl-1-cyclohexen-1-yl)-4-piperidyl)propyl)piperidine, Piperidine,1-(3,3,5-trimethyl-1-cyclohexen-1-yl)-4-[3-[1-(3,5,5-trimethyl-1-cyclohexen-1-yl)-4-piperidinyl]propyl]-(9CI)
| Molecular Formula | C31H54N2 |
|---|---|
| Molecular Weight | 454.43 g/mol |
| LogP | 9.6 |
| Topological Polar Surface Area | 6.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 6 |
| Exact Mass | 454.4287 |
| Heavy Atoms | 33 |
| Complexity | 698.0 |
Chemical Identifiers
| CAS Number | 101012-79-7 |
|---|---|
| SMILES | CC1CC(=CC(C1)(C)C)N2CCC(CC2)CCCC3CCN(CC3)C4=CC(CC(C4)(C)C)C |
| InChIKey | VKJSOXIMYQSXHJ-UHFFFAOYSA-N |
Product Overview
EINECS 309-778-9 (CAS 101012-79-7), with molecular formula C31H54N2 and molecular weight 454.43 g/mol. IUPAC: 1-(3,3,5-trimethylcyclohexen-1-yl)-4-[3-[1-(3,5,5-trimethylcyclohexen-1-yl)piperidin-4-yl]propyl]piperidine.
Chemical Property Profile of EINECS 309-778-9
Property Insights of EINECS 309-778-9
The XLogP value of 9.6 indicates that EINECS 309-778-9 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 6.5 Ų, EINECS 309-778-9 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, EINECS 309-778-9 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 EINECS 309-778-9?
The CAS number of EINECS 309-778-9 is 101012-79-7.
What is the molecular formula of EINECS 309-778-9?
The molecular formula of EINECS 309-778-9 is C31H54N2.
What is the molecular weight of EINECS 309-778-9?
The molecular weight of EINECS 309-778-9 is 454.43 g/mol.
Where can I buy EINECS 309-778-9?
You can request a quote for EINECS 309-778-9 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for EINECS 309-778-9?
Yes, KEHONG BIO provides custom synthesis services for EINECS 309-778-9 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.