Dodecyl urocanate
TL;DR: Dodecyl urocanate (CAS 67358-41-2) is a chemical compound with molecular formula C18H31ClN2O2 and molecular weight 342.21 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
dodecyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate;hydrochloride
Also Known As: Dodecyl urocanate, dodecyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate;hydrochloride, dodecyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate hydrochloride, 2-Propenoic acid, 3-(1H-imidazol-4-yl)-, dodecyl ester, monohydrochloride, RefChem:135507
| Molecular Formula | C18H31ClN2O2 |
|---|---|
| Molecular Weight | 342.21 g/mol |
| LogP | 5.3088 |
| Topological Polar Surface Area | 54.98 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 13 |
| Exact Mass | 342.2074 |
| Heavy Atoms | 23 |
| Complexity | 405.1639 |
Chemical Identifiers
| CAS Number | 67358-41-2 |
|---|---|
| SMILES | CCCCCCCCCCCCOC(=O)/C=C/C1=CN=CN1.Cl |
Product Overview
Dodecyl urocanate (CAS 67358-41-2), with molecular formula C18H31ClN2O2 and molecular weight 342.21 g/mol. IUPAC: dodecyl (E)-3-(1H-imidazol-5-yl)prop-2-enoate;hydrochloride.
Chemical Property Profile of Dodecyl urocanate
Property Insights of Dodecyl urocanate
The XLogP value of 5.3088 indicates that Dodecyl urocanate is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 54.98 Ų, Dodecyl urocanate exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Dodecyl urocanate has 1 hydrogen bond donor(s) and 3 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Dodecyl urocanate?
The CAS number of Dodecyl urocanate is 67358-41-2.
What is the molecular formula of Dodecyl urocanate?
The molecular formula of Dodecyl urocanate is C18H31ClN2O2.
What is the molecular weight of Dodecyl urocanate?
The molecular weight of Dodecyl urocanate is 342.21 g/mol.
Where can I buy Dodecyl urocanate?
You can request a quote for Dodecyl urocanate directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Dodecyl urocanate?
Yes, KEHONG BIO provides custom synthesis services for Dodecyl urocanate and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.