1,2-Dichloro-3-ethynylbenzene
TL;DR: 1,2-Dichloro-3-ethynylbenzene (CAS 95385-82-3) is a chemical compound with molecular formula C8H4Cl2 and molecular weight 169.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2-dichloro-3-ethynylbenzene
Also Known As: 1,2-Dichloro-3-ethynylbenzene, 1,2-dichloro-3-ethynyl-benzene, Benzene, 1,2-dichloro-3-ethynyl-, 2,3-dichlorophenylacetylene
| Molecular Formula | C8H4Cl2 |
|---|---|
| Molecular Weight | 169.97 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 169.96901 |
| Heavy Atoms | 10 |
| Complexity | 156.0 |
Chemical Identifiers
| CAS Number | 95385-82-3 |
|---|---|
| SMILES | C#CC1=C(C(=CC=C1)Cl)Cl |
| InChIKey | ZJBQVHITAJZERN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 4 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
1,2-Dichloro-3-ethynylbenzene (CAS 95385-82-3), with molecular formula C8H4Cl2 and molecular weight 169.97 g/mol. IUPAC: 1,2-dichloro-3-ethynylbenzene.
Chemical Property Profile of 1,2-Dichloro-3-ethynylbenzene
Property Insights of 1,2-Dichloro-3-ethynylbenzene
The XLogP value of 3.4 indicates that 1,2-Dichloro-3-ethynylbenzene is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 0.0 Ų, 1,2-Dichloro-3-ethynylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2-Dichloro-3-ethynylbenzene 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 1,2-Dichloro-3-ethynylbenzene?
The CAS number of 1,2-Dichloro-3-ethynylbenzene is 95385-82-3.
What is the molecular formula of 1,2-Dichloro-3-ethynylbenzene?
The molecular formula of 1,2-Dichloro-3-ethynylbenzene is C8H4Cl2.
What is the molecular weight of 1,2-Dichloro-3-ethynylbenzene?
The molecular weight of 1,2-Dichloro-3-ethynylbenzene is 169.97 g/mol.
Where can I buy 1,2-Dichloro-3-ethynylbenzene?
You can request a quote for 1,2-Dichloro-3-ethynylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2-Dichloro-3-ethynylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2-Dichloro-3-ethynylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.