3,4,4-trimethyl-pentanal
TL;DR: 3,4,4-trimethyl-pentanal (CAS 3718-51-2) is a chemical compound with molecular formula C17H18O2 and molecular weight 254.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-methoxy-4-[2-(4-methoxyphenyl)cyclopropyl]benzene
Also Known As: 3,4,4-trimethyl-pentanal, 1,2-Bis(4-methoxyphenyl)cyclopropane, 1-methoxy-4-[2-(4-methoxyphenyl)cyclopropyl]benzene, 1,1'-cyclopropane-1,2-diylbis(4-methoxybenzene), benzene, 1,1'-(1,2-cyclopropanediyl)bis[4-methoxy-
| Molecular Formula | C17H18O2 |
|---|---|
| Molecular Weight | 254.13 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 18.5 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 4 |
| Exact Mass | 254.13068 |
| Heavy Atoms | 19 |
| Complexity | 247.0 |
Chemical Identifiers
| CAS Number | 3718-51-2 |
|---|---|
| SMILES | COC1=CC=C(C=C1)C2CC2C3=CC=C(C=C3)OC |
| InChIKey | YTFKRSWDEPYBKW-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,4,4-trimethyl-pentanal (CAS 3718-51-2), with molecular formula C17H18O2 and molecular weight 254.13 g/mol. IUPAC: 1-methoxy-4-[2-(4-methoxyphenyl)cyclopropyl]benzene.
Chemical Property Profile of 3,4,4-trimethyl-pentanal
Property Insights of 3,4,4-trimethyl-pentanal
The XLogP value of 4.0 indicates that 3,4,4-trimethyl-pentanal is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 18.5 Ų, 3,4,4-trimethyl-pentanal exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4,4-trimethyl-pentanal has 0 hydrogen bond donor(s) and 2 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 3,4,4-trimethyl-pentanal?
The CAS number of 3,4,4-trimethyl-pentanal is 3718-51-2.
What is the molecular formula of 3,4,4-trimethyl-pentanal?
The molecular formula of 3,4,4-trimethyl-pentanal is C17H18O2.
What is the molecular weight of 3,4,4-trimethyl-pentanal?
The molecular weight of 3,4,4-trimethyl-pentanal is 254.13 g/mol.
Where can I buy 3,4,4-trimethyl-pentanal?
You can request a quote for 3,4,4-trimethyl-pentanal directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4,4-trimethyl-pentanal?
Yes, KEHONG BIO provides custom synthesis services for 3,4,4-trimethyl-pentanal and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.