RefChem:1094026
TL;DR: RefChem:1094026 (CAS 100098-77-9) is a chemical compound with molecular formula C13H15ClN2O3 and molecular weight 282.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4-dimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-5H-1,3-oxazole;hydrochloride
Also Known As: (E)-2-(3-Nitrostyryl)-4,4-dimethyl-2-oxazoline hydrochloride, Oxazole, 4,5-dihydro-4,4-dimethyl-2-(2-(3-nitrophenyl)ethenyl)-, monohydrochloride, (E)-, (E)-4,5-Dihydro-4,4-dimethyl-2-(2-(3-nitrophenyl)ethenyl)oxazole monohydrochloride, 4,4-dimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-5H-1,3-oxazole hydrochloride, RefChem:1094026
| Molecular Formula | C13H15ClN2O3 |
|---|---|
| Molecular Weight | 282.08 g/mol |
| LogP | 3.2371 |
| Topological Polar Surface Area | 64.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 282.07712 |
| Heavy Atoms | 19 |
| Complexity | 538.4448 |
Chemical Identifiers
| CAS Number | 100098-77-9 |
|---|---|
| SMILES | CC1(COC(=N1)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])C.Cl |
Product Overview
RefChem:1094026 (CAS 100098-77-9), with molecular formula C13H15ClN2O3 and molecular weight 282.08 g/mol. IUPAC: 4,4-dimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-5H-1,3-oxazole;hydrochloride.
Chemical Property Profile of RefChem:1094026
Property Insights of RefChem:1094026
The XLogP value of 3.2371 indicates that RefChem:1094026 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 64.73 Ų falls within the moderate polarity range, balancing permeability and solubility for RefChem:1094026. Following Lipinski's Rule of Five, RefChem:1094026 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:1094026?
The CAS number of RefChem:1094026 is 100098-77-9.
What is the molecular formula of RefChem:1094026?
The molecular formula of RefChem:1094026 is C13H15ClN2O3.
What is the molecular weight of RefChem:1094026?
The molecular weight of RefChem:1094026 is 282.08 g/mol.
Where can I buy RefChem:1094026?
You can request a quote for RefChem:1094026 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1094026?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1094026 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.