RefChem:1071801
TL;DR: RefChem:1071801 (CAS 100098-80-4) is a chemical compound with molecular formula C15H19ClN2O3 and molecular weight 310.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,4,6-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-5,6-dihydro-1,3-oxazine;hydrochloride
Also Known As: 4H-1,3-Oxazine, 5,6-dihydro-2-(2-(3-nitrophenyl)ethenyl)-4,4,6-trimethyl-, monohydrochloride, (E)-, 4,4,6-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-5,6-dihydro-1,3-oxazine hydrochloride, 4,4,6-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-5,6-dihydro-1,3-oxazine,hydrochloride, 4H-1,3-Oxazine,5,6-dihydro-2-(2-(3-nitrophenyl)ethenyl)-4,4,6-trimethyl-,monohydrochloride,(E), RefChem:1071801
| Molecular Formula | C15H19ClN2O3 |
|---|---|
| Molecular Weight | 310.11 g/mol |
| LogP | 4.0157 |
| Topological Polar Surface Area | 64.73 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 3 |
| Exact Mass | 310.10843 |
| Heavy Atoms | 21 |
| Complexity | 582.0364 |
Chemical Identifiers
| CAS Number | 100098-80-4 |
|---|---|
| SMILES | CC1CC(N=C(O1)/C=C/C2=CC(=CC=C2)[N+](=O)[O-])(C)C.Cl |
Product Overview
RefChem:1071801 (CAS 100098-80-4), with molecular formula C15H19ClN2O3 and molecular weight 310.11 g/mol. IUPAC: 4,4,6-trimethyl-2-[(E)-2-(3-nitrophenyl)ethenyl]-5,6-dihydro-1,3-oxazine;hydrochloride.
Chemical Property Profile of RefChem:1071801
Property Insights of RefChem:1071801
The XLogP value of 4.0157 indicates that RefChem:1071801 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:1071801. Following Lipinski's Rule of Five, RefChem:1071801 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:1071801?
The CAS number of RefChem:1071801 is 100098-80-4.
What is the molecular formula of RefChem:1071801?
The molecular formula of RefChem:1071801 is C15H19ClN2O3.
What is the molecular weight of RefChem:1071801?
The molecular weight of RefChem:1071801 is 310.11 g/mol.
Where can I buy RefChem:1071801?
You can request a quote for RefChem:1071801 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for RefChem:1071801?
Yes, KEHONG BIO provides custom synthesis services for RefChem:1071801 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.