5-丁氧基-4'-氯-3-联苯乙酸
TL;DR: 5-丁氧基-4'-氯-3-联苯乙酸 (CAS 61888-62-8) is a chemical compound with molecular formula C18H19ClO3 and molecular weight 318.10 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-丁氧基-4'-氯-3-联苯乙酸
2-[3-butoxy-5-(4-chlorophenyl)phenyl]acetic acid
Also Known As: 5-Butoxy-4'-chloro-3-biphenylacetic acid, 3-BIPHENYLACETIC ACID, 5-BUTOXY-4'-CHLORO-, 2-[3-butoxy-5-(4-chlorophenyl)phenyl]acetic acid, [1,1'-Biphenyl]-3-aceticacid, 5-butoxy-4'-chloro-, (5-Butoxy-4'-chloro[1,1'-biphenyl]-3-yl)acetic acid
| Molecular Formula | C18H19ClO3 |
|---|---|
| Molecular Weight | 318.10 g/mol |
| LogP | 4.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 7 |
| Exact Mass | 318.10226 |
| Heavy Atoms | 22 |
| Complexity | 339.0 |
Chemical Identifiers
| CAS Number | 61888-62-8 |
|---|---|
| SMILES | CCCCOC1=CC(=CC(=C1)C2=CC=C(C=C2)Cl)CC(=O)O |
| InChIKey | CGHZWNKMFFEFGG-UHFFFAOYSA-N |
Product Overview
5-丁氧基-4'-氯-3-联苯乙酸 (CAS 61888-62-8), with molecular formula C18H19ClO3 and molecular weight 318.10 g/mol. IUPAC: 2-[3-butoxy-5-(4-chlorophenyl)phenyl]acetic acid.
Chemical Property Profile of 5-丁氧基-4'-氯-3-联苯乙酸
Property Insights of 5-丁氧基-4'-氯-3-联苯乙酸
The XLogP value of 4.9 indicates that 5-丁氧基-4'-氯-3-联苯乙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 5-丁氧基-4'-氯-3-联苯乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-丁氧基-4'-氯-3-联苯乙酸 has 1 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 5-丁氧基-4'-氯-3-联苯乙酸?
The CAS number of 5-丁氧基-4'-氯-3-联苯乙酸 is 61888-62-8.
What is the molecular formula of 5-丁氧基-4'-氯-3-联苯乙酸?
The molecular formula of 5-丁氧基-4'-氯-3-联苯乙酸 is C18H19ClO3.
What is the molecular weight of 5-丁氧基-4'-氯-3-联苯乙酸?
The molecular weight of 5-丁氧基-4'-氯-3-联苯乙酸 is 318.10 g/mol.
Where can I buy 5-丁氧基-4'-氯-3-联苯乙酸?
You can request a quote for 5-丁氧基-4'-氯-3-联苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-丁氧基-4'-氯-3-联苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 5-丁氧基-4'-氯-3-联苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.