![1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]- structure](/static/products/2499/2499-47-0.webp)
1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]-
TL;DR: 1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]- (CAS 2499-47-0) is a chemical compound with molecular formula C14H14ClNO4 and molecular weight 295.06 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-(chloromethyl)-2-[4-(4-nitrophenyl)buta-1,3-dienyl]-1,3-dioxolane
Also Known As: NCIOpen2_005619, 1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]-, 2-(chloromethyl)-2-[4-(4-nitrophenyl)buta-1,3-dienyl]-1,3-di, 2-(chloromethyl)-2-[4-(4-nitrophenyl)buta-1,3-dienyl]-1,3-dioxolane
| Molecular Formula | C14H14ClNO4 |
|---|---|
| Molecular Weight | 295.06 g/mol |
| LogP | 2.9 |
| Topological Polar Surface Area | 64.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 4 |
| Exact Mass | 295.06113 |
| Heavy Atoms | 20 |
| Complexity | 377.0 |
Chemical Identifiers
| CAS Number | 2499-47-0 |
|---|---|
| SMILES | C1COC(O1)(CCl)C=CC=CC2=CC=C(C=C2)[N+](=O)[O-] |
| InChIKey | GGHSZBCEDMGJEK-UHFFFAOYSA-N |
Product Overview
1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]- (CAS 2499-47-0), with molecular formula C14H14ClNO4 and molecular weight 295.06 g/mol. IUPAC: 2-(chloromethyl)-2-[4-(4-nitrophenyl)buta-1,3-dienyl]-1,3-dioxolane.
Chemical Property Profile of 1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]-
Property Insights of 1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]-
The XLogP value of 2.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]-. The TPSA of 64.3 Ų falls within the moderate polarity range, balancing permeability and solubility for 1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]-. Following Lipinski's Rule of Five, 1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]- 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 1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]-?
The CAS number of 1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]- is 2499-47-0.
What is the molecular formula of 1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]-?
The molecular formula of 1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]- is C14H14ClNO4.
What is the molecular weight of 1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]-?
The molecular weight of 1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]- is 295.06 g/mol.
Where can I buy 1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]-?
You can request a quote for 1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]-?
Yes, KEHONG BIO provides custom synthesis services for 1,3-Dioxolane,2-(chloromethyl)-2-[4-(4-nitrophenyl)-1,3-butadien-1-yl]- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.