1,2,4-Trichloro-3,5,5-trimethoxycyclopenta-1,3-diene
TL;DR: 1,2,4-Trichloro-3,5,5-trimethoxycyclopenta-1,3-diene (CAS 3380-44-7) is a chemical compound with molecular formula C8H9Cl3O3 and molecular weight 257.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1,2,4-trichloro-3,5,5-trimethoxycyclopenta-1,3-diene
Also Known As: 1,2,4-trichloro-3,5,5-trimethoxycyclopenta-1,3-diene, KST-1B3298, 3,5,5-Trimethoxy-1,2,4-trichlorocyclopentadiene, 1,3,4-Trichloro-2,5,5-trimethoxy-1,3-cyclopentadiene
| Molecular Formula | C8H9Cl3O3 |
|---|---|
| Molecular Weight | 257.96 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 27.7 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 257.96173 |
| Heavy Atoms | 14 |
| Complexity | 305.0 |
Chemical Identifiers
| CAS Number | 3380-44-7 |
|---|---|
| SMILES | COC1=C(C(C(=C1Cl)Cl)(OC)OC)Cl |
| InChIKey | GZEMILHOPNVBBA-UHFFFAOYSA-N |
Product Overview
1,2,4-Trichloro-3,5,5-trimethoxycyclopenta-1,3-diene (CAS 3380-44-7), with molecular formula C8H9Cl3O3 and molecular weight 257.96 g/mol. IUPAC: 1,2,4-trichloro-3,5,5-trimethoxycyclopenta-1,3-diene.
Chemical Property Profile of 1,2,4-Trichloro-3,5,5-trimethoxycyclopenta-1,3-diene
Property Insights of 1,2,4-Trichloro-3,5,5-trimethoxycyclopenta-1,3-diene
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 1,2,4-Trichloro-3,5,5-trimethoxycyclopenta-1,3-diene. With a topological polar surface area (TPSA) of 27.7 Ų, 1,2,4-Trichloro-3,5,5-trimethoxycyclopenta-1,3-diene exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 1,2,4-Trichloro-3,5,5-trimethoxycyclopenta-1,3-diene has 0 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 1,2,4-Trichloro-3,5,5-trimethoxycyclopenta-1,3-diene?
The CAS number of 1,2,4-Trichloro-3,5,5-trimethoxycyclopenta-1,3-diene is 3380-44-7.
What is the molecular formula of 1,2,4-Trichloro-3,5,5-trimethoxycyclopenta-1,3-diene?
The molecular formula of 1,2,4-Trichloro-3,5,5-trimethoxycyclopenta-1,3-diene is C8H9Cl3O3.
What is the molecular weight of 1,2,4-Trichloro-3,5,5-trimethoxycyclopenta-1,3-diene?
The molecular weight of 1,2,4-Trichloro-3,5,5-trimethoxycyclopenta-1,3-diene is 257.96 g/mol.
Where can I buy 1,2,4-Trichloro-3,5,5-trimethoxycyclopenta-1,3-diene?
You can request a quote for 1,2,4-Trichloro-3,5,5-trimethoxycyclopenta-1,3-diene directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 1,2,4-Trichloro-3,5,5-trimethoxycyclopenta-1,3-diene?
Yes, KEHONG BIO provides custom synthesis services for 1,2,4-Trichloro-3,5,5-trimethoxycyclopenta-1,3-diene and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.