2-Thiophenecarboxaldehyde, 4,5-dichloro-
TL;DR: 2-Thiophenecarboxaldehyde, 4,5-dichloro- (CAS 67482-49-9) is a chemical compound with molecular formula C5H2Cl2OS and molecular weight 179.92 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4,5-dichlorothiophene-2-carbaldehyde
Also Known As: 4,5-dichlorothiophene-2-carbaldehyde, 4,5-Dichloro-2-thiophenecarboxaldehyde, Rivaroxaban Impurity 121, 2-Formyl-4,5-dichlorothiophene, Rivaroxaban Impurity 101
| Molecular Formula | C5H2Cl2OS |
|---|---|
| Molecular Weight | 179.92 g/mol |
| LogP | 3.0 |
| Topological Polar Surface Area | 45.3 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 1 |
| Exact Mass | 179.92033 |
| Heavy Atoms | 9 |
| Complexity | 120.0 |
Chemical Identifiers
| CAS Number | 67482-49-9 |
|---|---|
| SMILES | C1=C(SC(=C1Cl)Cl)C=O |
| InChIKey | UTIRHZZQPMLIFQ-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2-Thiophenecarboxaldehyde, 4,5-dichloro- (CAS 67482-49-9), with molecular formula C5H2Cl2OS and molecular weight 179.92 g/mol. IUPAC: 4,5-dichlorothiophene-2-carbaldehyde.
Chemical Property Profile of 2-Thiophenecarboxaldehyde, 4,5-dichloro-
Property Insights of 2-Thiophenecarboxaldehyde, 4,5-dichloro-
The XLogP value of 3.0 indicates that 2-Thiophenecarboxaldehyde, 4,5-dichloro- is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 45.3 Ų, 2-Thiophenecarboxaldehyde, 4,5-dichloro- exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2-Thiophenecarboxaldehyde, 4,5-dichloro- 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 2-Thiophenecarboxaldehyde, 4,5-dichloro-?
The CAS number of 2-Thiophenecarboxaldehyde, 4,5-dichloro- is 67482-49-9.
What is the molecular formula of 2-Thiophenecarboxaldehyde, 4,5-dichloro-?
The molecular formula of 2-Thiophenecarboxaldehyde, 4,5-dichloro- is C5H2Cl2OS.
What is the molecular weight of 2-Thiophenecarboxaldehyde, 4,5-dichloro-?
The molecular weight of 2-Thiophenecarboxaldehyde, 4,5-dichloro- is 179.92 g/mol.
Where can I buy 2-Thiophenecarboxaldehyde, 4,5-dichloro-?
You can request a quote for 2-Thiophenecarboxaldehyde, 4,5-dichloro- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2-Thiophenecarboxaldehyde, 4,5-dichloro-?
Yes, KEHONG BIO provides custom synthesis services for 2-Thiophenecarboxaldehyde, 4,5-dichloro- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.