4-(辛氧基)-3-氯苯乙酸
TL;DR: 4-(辛氧基)-3-氯苯乙酸 (CAS 69493-20-5) is a chemical compound with molecular formula C16H23ClO3 and molecular weight 298.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
4-(辛氧基)-3-氯苯乙酸
2-(3-chloro-4-octoxyphenyl)acetic acid
Also Known As: 4-(Octyloxy)-3-chlorophenylacetic acid, 2-(3-chloro-4-octoxyphenyl)acetic acid, 2-(3-Chloro-4-(octyloxy)phenyl)acetic acid, Benzeneacetic acid, 3-chloro-4-(octyloxy)-, [3-CHLORO-4-(OCTYLOXY)PHENYL]ACETIC ACID
| Molecular Formula | C16H23ClO3 |
|---|---|
| Molecular Weight | 298.13 g/mol |
| LogP | 5.0 |
| Topological Polar Surface Area | 46.5 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 10 |
| Exact Mass | 298.13358 |
| Heavy Atoms | 20 |
| Complexity | 270.0 |
Chemical Identifiers
| CAS Number | 69493-20-5 |
|---|---|
| SMILES | CCCCCCCCOC1=C(C=C(C=C1)CC(=O)O)Cl |
| InChIKey | IHBVRZFITXXSHI-UHFFFAOYSA-N |
Product Overview
4-(辛氧基)-3-氯苯乙酸 (CAS 69493-20-5), with molecular formula C16H23ClO3 and molecular weight 298.13 g/mol. IUPAC: 2-(3-chloro-4-octoxyphenyl)acetic acid.
Chemical Property Profile of 4-(辛氧基)-3-氯苯乙酸
Property Insights of 4-(辛氧基)-3-氯苯乙酸
The XLogP value of 5.0 indicates that 4-(辛氧基)-3-氯苯乙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 46.5 Ų, 4-(辛氧基)-3-氯苯乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 4-(辛氧基)-3-氯苯乙酸 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 4-(辛氧基)-3-氯苯乙酸?
The CAS number of 4-(辛氧基)-3-氯苯乙酸 is 69493-20-5.
What is the molecular formula of 4-(辛氧基)-3-氯苯乙酸?
The molecular formula of 4-(辛氧基)-3-氯苯乙酸 is C16H23ClO3.
What is the molecular weight of 4-(辛氧基)-3-氯苯乙酸?
The molecular weight of 4-(辛氧基)-3-氯苯乙酸 is 298.13 g/mol.
Where can I buy 4-(辛氧基)-3-氯苯乙酸?
You can request a quote for 4-(辛氧基)-3-氯苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 4-(辛氧基)-3-氯苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for 4-(辛氧基)-3-氯苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.