2-环己基-3-对甲苯基双胍
TL;DR: 2-环己基-3-对甲苯基双胍 (CAS 56478-78-5) is a chemical compound with molecular formula C15H19N3O2 and molecular weight 273.15 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-环己基-3-对甲苯基双胍
1-cyclohexyl-2-(4-methylphenyl)-1,2,4-triazolidine-3,5-dione
Also Known As: Bicarbamimide, 2-cyclohexyl-3-p-tolyl-, 2-Cyclohexyl-3-p-tolylbicarbamimide, 5-26-05-00257 (Beilstein Handbook Reference), 1-cyclohexyl-2-(4-methylphenyl)-1,2,4-triazolidine-3,5-dione, 1,2,4-Triazolidine-3,5-dione, 1-cyclohexyl-2-(4-methylphenyl)-
| Molecular Formula | C15H19N3O2 |
|---|---|
| Molecular Weight | 273.15 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 52.7 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 273.14774 |
| Heavy Atoms | 20 |
| Complexity | 385.0 |
Chemical Identifiers
| CAS Number | 56478-78-5 |
|---|---|
| SMILES | CC1=CC=C(C=C1)N2C(=O)NC(=O)N2C3CCCCC3 |
| InChIKey | PWUHXMZVMNZCED-UHFFFAOYSA-N |
Product Overview
2-环己基-3-对甲苯基双胍 (CAS 56478-78-5), with molecular formula C15H19N3O2 and molecular weight 273.15 g/mol. IUPAC: 1-cyclohexyl-2-(4-methylphenyl)-1,2,4-triazolidine-3,5-dione.
Chemical Property Profile of 2-环己基-3-对甲苯基双胍
Property Insights of 2-环己基-3-对甲苯基双胍
The XLogP value of 3.0 indicates that 2-环己基-3-对甲苯基双胍 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 52.7 Ų, 2-环己基-3-对甲苯基双胍 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-环己基-3-对甲苯基双胍 has 1 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 2-环己基-3-对甲苯基双胍?
The CAS number of 2-环己基-3-对甲苯基双胍 is 56478-78-5.
What is the molecular formula of 2-环己基-3-对甲苯基双胍?
The molecular formula of 2-环己基-3-对甲苯基双胍 is C15H19N3O2.
What is the molecular weight of 2-环己基-3-对甲苯基双胍?
The molecular weight of 2-环己基-3-对甲苯基双胍 is 273.15 g/mol.
Where can I buy 2-环己基-3-对甲苯基双胍?
You can request a quote for 2-环己基-3-对甲苯基双胍 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-环己基-3-对甲苯基双胍?
Yes, KEHONG BIO provides custom synthesis services for 2-环己基-3-对甲苯基双胍 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.