Benzene-1,2,4,5-d4, 3-chloro-6-nitro-
TL;DR: Benzene-1,2,4,5-d4, 3-chloro-6-nitro- (CAS 68239-23-6) is a chemical compound with molecular formula C6H4ClNO2 and molecular weight 161.02 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-chloro-2,3,5,6-tetradeuterio-4-nitrobenzene
Also Known As: 4-CHLORONITROBENZENE-D4, 4-Chloronitrobenzene, 4-Chloronitrobenzene D4, C6ClD4NO2, 1-Chloro-4-nitro(2H4)benzene
| Molecular Formula | C6H4ClNO2 |
|---|---|
| Molecular Weight | 161.02 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 45.8 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 0 |
| Exact Mass | 161.01816 |
| Heavy Atoms | 10 |
| Complexity | 126.0 |
Chemical Identifiers
| CAS Number | 68239-23-6 |
|---|---|
| SMILES | [2H]C1=C(C(=C(C(=C1[N+](=O)[O-])[2H])[2H])Cl)[2H] |
| InChIKey | CZGCEKJOLUNIFY-RHQRLBAQSA-N |
Product Overview
Benzene-1,2,4,5-d4, 3-chloro-6-nitro- (CAS 68239-23-6), with molecular formula C6H4ClNO2 and molecular weight 161.02 g/mol. IUPAC: 1-chloro-2,3,5,6-tetradeuterio-4-nitrobenzene.
Chemical Property Profile of Benzene-1,2,4,5-d4, 3-chloro-6-nitro-
Property Insights of Benzene-1,2,4,5-d4, 3-chloro-6-nitro-
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Benzene-1,2,4,5-d4, 3-chloro-6-nitro-. With a topological polar surface area (TPSA) of 45.8 Ų, Benzene-1,2,4,5-d4, 3-chloro-6-nitro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Benzene-1,2,4,5-d4, 3-chloro-6-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-1,2,4,5-d4, 3-chloro-6-nitro-?
The CAS number of Benzene-1,2,4,5-d4, 3-chloro-6-nitro- is 68239-23-6.
What is the molecular formula of Benzene-1,2,4,5-d4, 3-chloro-6-nitro-?
The molecular formula of Benzene-1,2,4,5-d4, 3-chloro-6-nitro- is C6H4ClNO2.
What is the molecular weight of Benzene-1,2,4,5-d4, 3-chloro-6-nitro-?
The molecular weight of Benzene-1,2,4,5-d4, 3-chloro-6-nitro- is 161.02 g/mol.
Where can I buy Benzene-1,2,4,5-d4, 3-chloro-6-nitro-?
You can request a quote for Benzene-1,2,4,5-d4, 3-chloro-6-nitro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Benzene-1,2,4,5-d4, 3-chloro-6-nitro-?
Yes, KEHONG BIO provides custom synthesis services for Benzene-1,2,4,5-d4, 3-chloro-6-nitro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.