RefChem:1094013
TL;DR: RefChem:1094013 (CAS 100098-81-5) is a chemical compound with molecular formula C15H20ClNO3 and molecular weight 297.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
Also Known As: (E)-2-(3,4-Dimethoxystyryl)-4,4-dimethyl-2-oxazoline hydrochloride, Oxazole, 4,5-dihydro-2-(2-(3,4-dimethoxyphenyl)ethenyl)-4,4-dimethyl-, hydrochloride, (E)-, (E)-4,5-Dihydro-2-(2-(3,4-dimethoxyphenyl)ethenyl)-4,4-dimethyloxazole hydrochloride, 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole hydrochloride, RefChem:1094013
| Molecular Formula | C15H20ClNO3 |
|---|---|
| Molecular Weight | 297.11 g/mol |
| LogP | 3.3461 |
| Topological Polar Surface Area | 40.05 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 297.11316 |
| Heavy Atoms | 20 |
| Complexity | 523.85 |
Chemical Identifiers
| CAS Number | 100098-81-5 |
|---|---|
| SMILES | CC1(COC(=N1)/C=C/C2=CC(=C(C=C2)OC)OC)C.Cl |
Product Overview
RefChem:1094013 (CAS 100098-81-5), with molecular formula C15H20ClNO3 and molecular weight 297.11 g/mol. IUPAC: 2-[(E)-2-(3,4-dimethoxyphenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride.
Chemical Property Profile of RefChem:1094013
Property Insights of RefChem:1094013
The XLogP value of 3.3461 indicates that RefChem:1094013 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 40.05 Ų, RefChem:1094013 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, RefChem:1094013 has 0 hydrogen bond donor(s) and 4 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 RefChem:1094013?
The CAS number of RefChem:1094013 is 100098-81-5.
What is the molecular formula of RefChem:1094013?
The molecular formula of RefChem:1094013 is C15H20ClNO3.
What is the molecular weight of RefChem:1094013?
The molecular weight of RefChem:1094013 is 297.11 g/mol.
Where can I buy RefChem:1094013?
You can request a quote for RefChem:1094013 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1094013?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1094013 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.