1,2,3-Trichloro-4-ethynylbenzene
TL;DR: 1,2,3-Trichloro-4-ethynylbenzene (CAS 99292-22-5) is a chemical compound with molecular formula C8H3Cl3 and molecular weight 203.93 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,3-trichloro-4-ethynylbenzene
Also Known As: 1,2,3-Trichloro-4-ethynylbenzene, Benzene, trichloroethynyl-, 1,2,3-trichloro-4-ethynyl-benzene
| Molecular Formula | C8H3Cl3 |
|---|---|
| Molecular Weight | 203.93 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 0.0 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 0 |
| Rotatable Bonds | 1 |
| Exact Mass | 203.93004 |
| Heavy Atoms | 11 |
| Complexity | 181.0 |
Chemical Identifiers
| CAS Number | 99292-22-5 |
|---|---|
| SMILES | C#CC1=C(C(=C(C=C1)Cl)Cl)Cl |
| InChIKey | HJTVVSMAQRMOGU-UHFFFAOYSA-N |
Product Overview
1,2,3-Trichloro-4-ethynylbenzene (CAS 99292-22-5), with molecular formula C8H3Cl3 and molecular weight 203.93 g/mol. IUPAC: 1,2,3-trichloro-4-ethynylbenzene.
Chemical Property Profile of 1,2,3-Trichloro-4-ethynylbenzene
Property Insights of 1,2,3-Trichloro-4-ethynylbenzene
The XLogP value of 4.5 indicates that 1,2,3-Trichloro-4-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, 1,2,3-Trichloro-4-ethynylbenzene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,3-Trichloro-4-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 1,2,3-Trichloro-4-ethynylbenzene?
The CAS number of 1,2,3-Trichloro-4-ethynylbenzene is 99292-22-5.
What is the molecular formula of 1,2,3-Trichloro-4-ethynylbenzene?
The molecular formula of 1,2,3-Trichloro-4-ethynylbenzene is C8H3Cl3.
What is the molecular weight of 1,2,3-Trichloro-4-ethynylbenzene?
The molecular weight of 1,2,3-Trichloro-4-ethynylbenzene is 203.93 g/mol.
Where can I buy 1,2,3-Trichloro-4-ethynylbenzene?
You can request a quote for 1,2,3-Trichloro-4-ethynylbenzene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,3-Trichloro-4-ethynylbenzene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,3-Trichloro-4-ethynylbenzene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.