4-(5-Chloro-2-fluorophenyl)benzaldehyde
TL;DR: 4-(5-Chloro-2-fluorophenyl)benzaldehyde (CAS 38931-65-6) is a chemical compound with molecular formula C27H27NO2S and molecular weight 429.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
1-[2-[4-(6-methoxy-2-phenyl-1-benzothiophen-3-yl)phenoxy]ethyl]pyrrolidine
Also Known As: 4-(5-Chloro-2-fluorophenyl)benzaldehyde, Pyrrolidine, 1-(2-(4-(6-methoxy-2-phenylbenzo(b)thien-3-yl)phenoxy)ethyl)-, hydrochloride, 1-{2-[4-(6-methoxy-2-phenyl-1-benzothiophen-3-yl)phenoxy]ethyl}pyrrolidine, Pyrrolidine, 1-(2-(4-(6-methoxy-2-phenylbenzo(b)thien-3-yl)phenoxy)ethyl)-, 1-(2-(4-(6-Methoxy-2-phenylbenzo(b)thien-3-yl)phenoxy)ethyl)pyrrolidine hydrochloride
| Molecular Formula | C27H27NO2S |
|---|---|
| Molecular Weight | 429.18 g/mol |
| LogP | 6.7 |
| Topological Polar Surface Area | 49.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 7 |
| Exact Mass | 429.17624 |
| Heavy Atoms | 31 |
| Complexity | 539.0 |
Chemical Identifiers
| CAS Number | 38931-65-6 |
|---|---|
| SMILES | COC1=CC2=C(C=C1)C(=C(S2)C3=CC=CC=C3)C4=CC=C(C=C4)OCCN5CCCC5 |
| InChIKey | UBSYZHNXWQNAPG-UHFFFAOYSA-N |
Product Overview
4-(5-Chloro-2-fluorophenyl)benzaldehyde (CAS 38931-65-6), with molecular formula C27H27NO2S and molecular weight 429.18 g/mol. IUPAC: 1-[2-[4-(6-methoxy-2-phenyl-1-benzothiophen-3-yl)phenoxy]ethyl]pyrrolidine.
Chemical Property Profile of 4-(5-Chloro-2-fluorophenyl)benzaldehyde
Property Insights of 4-(5-Chloro-2-fluorophenyl)benzaldehyde
The XLogP value of 6.7 indicates that 4-(5-Chloro-2-fluorophenyl)benzaldehyde is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 49.9 Ų, 4-(5-Chloro-2-fluorophenyl)benzaldehyde exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(5-Chloro-2-fluorophenyl)benzaldehyde has 0 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 4-(5-Chloro-2-fluorophenyl)benzaldehyde?
The CAS number of 4-(5-Chloro-2-fluorophenyl)benzaldehyde is 38931-65-6.
What is the molecular formula of 4-(5-Chloro-2-fluorophenyl)benzaldehyde?
The molecular formula of 4-(5-Chloro-2-fluorophenyl)benzaldehyde is C27H27NO2S.
What is the molecular weight of 4-(5-Chloro-2-fluorophenyl)benzaldehyde?
The molecular weight of 4-(5-Chloro-2-fluorophenyl)benzaldehyde is 429.18 g/mol.
Where can I buy 4-(5-Chloro-2-fluorophenyl)benzaldehyde?
You can request a quote for 4-(5-Chloro-2-fluorophenyl)benzaldehyde directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(5-Chloro-2-fluorophenyl)benzaldehyde?
Yes, KEHONG BIO provides custom synthesis services for 4-(5-Chloro-2-fluorophenyl)benzaldehyde and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.