3-氯-3-(4-氟苯基)丙烯醛
TL;DR: 3-氯-3-(4-氟苯基)丙烯醛 (CAS 161891-29-8) is a chemical compound with molecular formula C9H6ClFO and molecular weight 184.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3-氯-3-(4-氟苯基)丙烯醛
3-chloro-3-(4-fluorophenyl)prop-2-enal
Also Known As: 3-chloro-3-(4-fluorophenyl)acrylaldehyde, 3-chloro-3-(4-fluorophenyl)prop-2-enal, (Z)-3-chloro-3-(4-fluorophenyl)prop-2-enal, (2Z)-3-Chloro-3-(4-fluorophenyl)acrylaldehyde, (2Z)-3-chloro-3-(4-fluorophenyl)prop-2-enal
| Molecular Formula | C9H6ClFO |
|---|---|
| Molecular Weight | 184.01 g/mol |
| LogP | 2.3 |
| Topological Polar Surface Area | 17.1 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 184.00912 |
| Heavy Atoms | 12 |
| Complexity | 183.0 |
Chemical Identifiers
| CAS Number | 161891-29-8 |
|---|---|
| SMILES | C1=CC(=CC=C1C(=CC=O)Cl)F |
| InChIKey | PMRMSGNJEJXYGD-UHFFFAOYSA-N |
Product Overview
3-氯-3-(4-氟苯基)丙烯醛 (CAS 161891-29-8), with molecular formula C9H6ClFO and molecular weight 184.01 g/mol. IUPAC: 3-chloro-3-(4-fluorophenyl)prop-2-enal.
Chemical Property Profile of 3-氯-3-(4-氟苯基)丙烯醛
Property Insights of 3-氯-3-(4-氟苯基)丙烯醛
The XLogP value of 2.3 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3-氯-3-(4-氟苯基)丙烯醛. With a topological polar surface area (TPSA) of 17.1 Ų, 3-氯-3-(4-氟苯基)丙烯醛 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3-氯-3-(4-氟苯基)丙烯醛 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 3-氯-3-(4-氟苯基)丙烯醛?
The CAS number of 3-氯-3-(4-氟苯基)丙烯醛 is 161891-29-8.
What is the molecular formula of 3-氯-3-(4-氟苯基)丙烯醛?
The molecular formula of 3-氯-3-(4-氟苯基)丙烯醛 is C9H6ClFO.
What is the molecular weight of 3-氯-3-(4-氟苯基)丙烯醛?
The molecular weight of 3-氯-3-(4-氟苯基)丙烯醛 is 184.01 g/mol.
Where can I buy 3-氯-3-(4-氟苯基)丙烯醛?
You can request a quote for 3-氯-3-(4-氟苯基)丙烯醛 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3-氯-3-(4-氟苯基)丙烯醛?
Yes, KEHONG BIO provides custom synthesis services for 3-氯-3-(4-氟苯基)丙烯醛 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.