1,4-Dichlorobenzene-d4
TL;DR: 1,4-Dichlorobenzene-d4 (CAS 3855-82-1) is a chemical compound with molecular formula C6H4Cl2 and molecular weight 149.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,4-dichloro-2,3,5,6-tetradeuteriobenzene
Also Known As: 1,4-Dichlorobenzene-d4, p-Dichlorobenzene, dichloro(?H?)benzene, 1,4-Dichlorobenzene D4, Benzene-1,2,4,5-d4, 3,6-dichloro-
| Molecular Formula | C6H4Cl2 |
|---|---|
| Molecular Weight | 149.99 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 0 |
| Exact Mass | 149.99411 |
| Heavy Atoms | 8 |
| Complexity | 54.0 |
Chemical Identifiers
| CAS Number | 3855-82-1 |
|---|---|
| SMILES | [2H]C1=C(C(=C(C(=C1Cl)[2H])[2H])Cl)[2H] |
| InChIKey | OCJBOOLMMGQPQU-RHQRLBAQSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,4-Dichlorobenzene-d4 (CAS 3855-82-1), with molecular formula C6H4Cl2 and molecular weight 149.99 g/mol. IUPAC: 1,4-dichloro-2,3,5,6-tetradeuteriobenzene.
Chemical Property Profile of 1,4-Dichlorobenzene-d4
Property Insights of 1,4-Dichlorobenzene-d4
The XLogP value of 3.4 indicates that 1,4-Dichlorobenzene-d4 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,4-Dichlorobenzene-d4 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,4-Dichlorobenzene-d4 has 0 hydrogen bond donor(s) and 0 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 1,4-Dichlorobenzene-d4?
The CAS number of 1,4-Dichlorobenzene-d4 is 3855-82-1.
What is the molecular formula of 1,4-Dichlorobenzene-d4?
The molecular formula of 1,4-Dichlorobenzene-d4 is C6H4Cl2.
What is the molecular weight of 1,4-Dichlorobenzene-d4?
The molecular weight of 1,4-Dichlorobenzene-d4 is 149.99 g/mol.
Where can I buy 1,4-Dichlorobenzene-d4?
You can request a quote for 1,4-Dichlorobenzene-d4 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,4-Dichlorobenzene-d4?
Yes, KEHONG BIO provides custom synthesis services for 1,4-Dichlorobenzene-d4 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.