Benzene, 1-(1,3-butadienyl)-4-nitro-
TL;DR: Benzene, 1-(1,3-butadienyl)-4-nitro- (CAS 20264-89-5) is a chemical compound with molecular formula C10H9NO2 and molecular weight 175.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-buta-1,3-dienyl-4-nitrobenzene
Also Known As: p-Nitrophenylbutadien, 1-buta-1,3-dienyl-4-nitrobenzene, Benzene, 1-(1,3-butadienyl)-4-nitro-, 4-(4-nitrophenyl)-1,3 butadiene, 1-(1,3-butadienyl)-4-nitrobenzene
| Molecular Formula | C10H9NO2 |
|---|---|
| Molecular Weight | 175.06 g/mol |
| LogP | 2.794 |
| Topological Polar Surface Area | 43.14 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 3 |
| Exact Mass | 175.06332 |
| Heavy Atoms | 13 |
| Complexity | 338.4473 |
Chemical Identifiers
| CAS Number | 20264-89-5 |
|---|---|
| SMILES | C=CC=CC1=CC=C(C=C1)[N+](=O)[O-] |
Product Overview
Benzene, 1-(1,3-butadienyl)-4-nitro- (CAS 20264-89-5), with molecular formula C10H9NO2 and molecular weight 175.06 g/mol. IUPAC: 1-buta-1,3-dienyl-4-nitrobenzene.
Chemical Property Profile of Benzene, 1-(1,3-butadienyl)-4-nitro-
Property Insights of Benzene, 1-(1,3-butadienyl)-4-nitro-
The XLogP value of 2.794 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene, 1-(1,3-butadienyl)-4-nitro-. With a topological polar surface area (TPSA) of 43.14 Ų, Benzene, 1-(1,3-butadienyl)-4-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene, 1-(1,3-butadienyl)-4-nitro- 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-(1,3-butadienyl)-4-nitro-?
The CAS number of Benzene, 1-(1,3-butadienyl)-4-nitro- is 20264-89-5.
What is the molecular formula of Benzene, 1-(1,3-butadienyl)-4-nitro-?
The molecular formula of Benzene, 1-(1,3-butadienyl)-4-nitro- is C10H9NO2.
What is the molecular weight of Benzene, 1-(1,3-butadienyl)-4-nitro-?
The molecular weight of Benzene, 1-(1,3-butadienyl)-4-nitro- is 175.06 g/mol.
Where can I buy Benzene, 1-(1,3-butadienyl)-4-nitro-?
You can request a quote for Benzene, 1-(1,3-butadienyl)-4-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene, 1-(1,3-butadienyl)-4-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene, 1-(1,3-butadienyl)-4-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.