RefChem:1094024
TL;DR: RefChem:1094024 (CAS 100098-75-7) is a chemical compound with molecular formula C13H14ClN3O5 and molecular weight 327.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[(E)-2-(3,5-dinitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride
Also Known As: (E)-2-(3,5-Dinitrostyryl)-4,4-dimethyl-2-oxazoline hydrochloride, Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-(3,5-dinitrophenyl)ethenyl)-, monohydrochloride, (E)-, (E)-4,5-Dihydro-4,4-dimethyl-2-(2-(3,5-dinitrophenyl)ethenyl)oxazole monohydrochloride, 2-[(E)-2-(3,5-dinitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole hydrochloride, RefChem:1094024
| Molecular Formula | C13H14ClN3O5 |
|---|---|
| Molecular Weight | 327.06 g/mol |
| LogP | 3.1453 |
| Topological Polar Surface Area | 107.87 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 4 |
| Exact Mass | 327.0622 |
| Heavy Atoms | 22 |
| Complexity | 637.38947 |
Chemical Identifiers
| CAS Number | 100098-75-7 |
|---|---|
| SMILES | CC1(COC(=N1)/C=C/C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-])C.Cl |
Product Overview
RefChem:1094024 (CAS 100098-75-7), with molecular formula C13H14ClN3O5 and molecular weight 327.06 g/mol. IUPAC: 2-[(E)-2-(3,5-dinitrophenyl)ethenyl]-4,4-dimethyl-5H-1,3-oxazole;hydrochloride.
Chemical Property Profile of RefChem:1094024
Property Insights of RefChem:1094024
The XLogP value of 3.1453 indicates that RefChem:1094024 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 107.87 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1094024. Following Lipinski's Rule of Five, RefChem:1094024 has 0 hydrogen bond donor(s) and 6 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:1094024?
The CAS number of RefChem:1094024 is 100098-75-7.
What is the molecular formula of RefChem:1094024?
The molecular formula of RefChem:1094024 is C13H14ClN3O5.
What is the molecular weight of RefChem:1094024?
The molecular weight of RefChem:1094024 is 327.06 g/mol.
Where can I buy RefChem:1094024?
You can request a quote for RefChem:1094024 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1094024?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1094024 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.