![N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline structure](/static/products/134/134897-31-7.png)
N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline
TL;DR: N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline (CAS 134897-31-7) is a chemical compound with molecular formula C10H6Cl4N2O2 and molecular weight 325.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
N-[(1E)-1,3,4,4-tetrachloro-1-nitrobuta-1,3-dien-2-yl]aniline
Also Known As: N-(1,3,4,4-tetrachloro-1-nitrobuta-1,3-dien-2-yl)aniline, (E)-N-(1,3,4,4-tetrachloro-1-nitrobuta-1,3-dien-2-yl)aniline, N-[(1E)-1,3,4,4-tetrachloro-1-nitrobuta-1,3-dien-2-yl]aniline, N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline, (2-Anilino-1,3,4,4-tetrachloro-1,3-butadienyl)(hydroxy)azane oxide
| Molecular Formula | C10H6Cl4N2O2 |
|---|---|
| Molecular Weight | 325.92 g/mol |
| LogP | 4.6686 |
| Topological Polar Surface Area | 55.17 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 4 |
| Exact Mass | 325.91833 |
| Heavy Atoms | 18 |
| Complexity | 509.86877 |
Chemical Identifiers
| CAS Number | 134897-31-7 |
|---|---|
| SMILES | C1=CC=C(C=C1)N/C(=C(\[N+](=O)[O-])/Cl)/C(=C(Cl)Cl)Cl |
Product Overview
N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline (CAS 134897-31-7), with molecular formula C10H6Cl4N2O2 and molecular weight 325.92 g/mol. IUPAC: N-[(1E)-1,3,4,4-tetrachloro-1-nitrobuta-1,3-dien-2-yl]aniline.
Chemical Property Profile of N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline
Property Insights of N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline
The XLogP value of 4.6686 indicates that N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.17 Ų, N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline has 1 hydrogen bond donor(s) and 3 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 N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline?
The CAS number of N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline is 134897-31-7.
What is the molecular formula of N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline?
The molecular formula of N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline is C10H6Cl4N2O2.
What is the molecular weight of N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline?
The molecular weight of N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline is 325.92 g/mol.
Where can I buy N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline?
You can request a quote for N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline?
Yes, KEHONG BIO provides custom synthesis services for N-[(1E)-2,3,3-trichloro-1-[chloro(nitro)methylene]allyl]aniline and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.