![benzene, 1,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]- structure](/static/products/147/147102-61-2.png)
benzene, 1,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]-
TL;DR: benzene, 1,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]- (CAS 147102-61-2) is a chemical compound with molecular formula C11H13NO2 and molecular weight 191.09 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,3-dimethyl-5-[(E)-2-nitroprop-1-enyl]benzene
Also Known As: 1-(3,5-Dimethyl-phenyl)-2-nitro-propen, 1,3-dimethyl-5-[(E)-2-nitroprop-1-enyl]benzene, benzene, 1,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]-, 1,3-dimethyl-5-[(1E)-2-nitroprop-1-en-1-yl]benzene, InChI=1/C11H13NO2/c1-8-4-9(2)6-11(5-8)7-10(3)12(13)14/h4-7H,1-3H3/b10-7
| Molecular Formula | C11H13NO2 |
|---|---|
| Molecular Weight | 191.09 g/mol |
| LogP | 3.3 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 191.09464 |
| Heavy Atoms | 14 |
| Complexity | 232.0 |
Chemical Identifiers
| CAS Number | 147102-61-2 |
|---|---|
| SMILES | CC1=CC(=CC(=C1)/C=C(\C)/[N+](=O)[O-])C |
| InChIKey | FQORLNBBDWVDMB-JXMROGBWSA-N |
Product Overview
benzene, 1,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]- (CAS 147102-61-2), with molecular formula C11H13NO2 and molecular weight 191.09 g/mol. IUPAC: 1,3-dimethyl-5-[(E)-2-nitroprop-1-enyl]benzene.
Chemical Property Profile of benzene, 1,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]-
Property Insights of benzene, 1,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]-
The XLogP value of 3.3 indicates that benzene, 1,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.8 Ų, benzene, 1,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, benzene, 1,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]- has 0 hydrogen bond donor(s) and 2 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 benzene, 1,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]-?
The CAS number of benzene, 1,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]- is 147102-61-2.
What is the molecular formula of benzene, 1,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]-?
The molecular formula of benzene, 1,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]- is C11H13NO2.
What is the molecular weight of benzene, 1,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]-?
The molecular weight of benzene, 1,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]- is 191.09 g/mol.
Where can I buy benzene, 1,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]-?
You can request a quote for benzene, 1,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for benzene, 1,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]-?
Yes, KEHONG BIO provides custom synthesis services for benzene, 1,3-dimethyl-5-[(1E)-2-nitro-1-propenyl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.