4'-氯-5-甲氧基-3-联苯丙酸
TL;DR: 4'-氯-5-甲氧基-3-联苯丙酸 (CAS 61888-68-4) is a chemical compound with molecular formula C16H15ClO3 and molecular weight 290.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4'-氯-5-甲氧基-3-联苯丙酸
3-[3-(4-chlorophenyl)-5-methoxyphenyl]propanoic acid
Also Known As: 4'-Chloro-5-methoxy-3-biphenylpropionic acid, 3-BIPHENYLPROPIONIC ACID, 4'-CHLORO-5-METHOXY-, 3-[3-(4-chlorophenyl)-5-methoxyphenyl]propanoic acid, 4'-CHLORO-5-METHOXY-3-BIPHENYLPROPANOIC ACID, [1,1'-Biphenyl]-3-propanoic acid, 4'-chloro-5-methoxy-
| Molecular Formula | C16H15ClO3 |
|---|---|
| Molecular Weight | 290.07 g/mol |
| LogP | 3.9 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 5 |
| Exact Mass | 290.07098 |
| Heavy Atoms | 20 |
| Complexity | 313.0 |
Chemical Identifiers
| CAS Number | 61888-68-4 |
|---|---|
| SMILES | COC1=CC(=CC(=C1)C2=CC=C(C=C2)Cl)CCC(=O)O |
| InChIKey | AYVTVYUNJPRWEQ-UHFFFAOYSA-N |
Product Overview
4'-氯-5-甲氧基-3-联苯丙酸 (CAS 61888-68-4), with molecular formula C16H15ClO3 and molecular weight 290.07 g/mol. IUPAC: 3-[3-(4-chlorophenyl)-5-methoxyphenyl]propanoic acid.
Chemical Property Profile of 4'-氯-5-甲氧基-3-联苯丙酸
Property Insights of 4'-氯-5-甲氧基-3-联苯丙酸
The XLogP value of 3.9 indicates that 4'-氯-5-甲氧基-3-联苯丙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4'-氯-5-甲氧基-3-联苯丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4'-氯-5-甲氧基-3-联苯丙酸 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 4'-氯-5-甲氧基-3-联苯丙酸?
The CAS number of 4'-氯-5-甲氧基-3-联苯丙酸 is 61888-68-4.
What is the molecular formula of 4'-氯-5-甲氧基-3-联苯丙酸?
The molecular formula of 4'-氯-5-甲氧基-3-联苯丙酸 is C16H15ClO3.
What is the molecular weight of 4'-氯-5-甲氧基-3-联苯丙酸?
The molecular weight of 4'-氯-5-甲氧基-3-联苯丙酸 is 290.07 g/mol.
Where can I buy 4'-氯-5-甲氧基-3-联苯丙酸?
You can request a quote for 4'-氯-5-甲氧基-3-联苯丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4'-氯-5-甲氧基-3-联苯丙酸?
Yes, KEHONG BIO provides custom synthesis services for 4'-氯-5-甲氧基-3-联苯丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.