双(邻氯苯氧基)乙酸
TL;DR: 双(邻氯苯氧基)乙酸 (CAS 47087-55-8) is a chemical compound with molecular formula C14H10Cl2O4 and molecular weight 312.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
双(邻氯苯氧基)乙酸
2,2-bis(2-chlorophenoxy)acetic acid
Also Known As: Bis(o-chlorophenoxy)acetic acid, 2,2-bis(2-chlorophenoxy)acetic acid, ACETIC ACID, BIS(o-CHLOROPHENOXY)-, bis(2-chlorophenoxy)acetic acid, Acetic acid, bis(2-chlorophenoxy)-
| Molecular Formula | C14H10Cl2O4 |
|---|---|
| Molecular Weight | 312.00 g/mol |
| LogP | 4.5 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 5 |
| Exact Mass | 311.9956 |
| Heavy Atoms | 20 |
| Complexity | 302.0 |
Chemical Identifiers
| CAS Number | 47087-55-8 |
|---|---|
| SMILES | C1=CC=C(C(=C1)OC(C(=O)O)OC2=CC=CC=C2Cl)Cl |
| InChIKey | XBYHGNVNQLXAGB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 1 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
双(邻氯苯氧基)乙酸 (CAS 47087-55-8), with molecular formula C14H10Cl2O4 and molecular weight 312.00 g/mol. IUPAC: 2,2-bis(2-chlorophenoxy)acetic acid.
Chemical Property Profile of 双(邻氯苯氧基)乙酸
Property Insights of 双(邻氯苯氧基)乙酸
The XLogP value of 4.5 indicates that 双(邻氯苯氧基)乙酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, 双(邻氯苯氧基)乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 双(邻氯苯氧基)乙酸 has 1 hydrogen bond donor(s) and 4 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 双(邻氯苯氧基)乙酸?
The CAS number of 双(邻氯苯氧基)乙酸 is 47087-55-8.
What is the molecular formula of 双(邻氯苯氧基)乙酸?
The molecular formula of 双(邻氯苯氧基)乙酸 is C14H10Cl2O4.
What is the molecular weight of 双(邻氯苯氧基)乙酸?
The molecular weight of 双(邻氯苯氧基)乙酸 is 312.00 g/mol.
Where can I buy 双(邻氯苯氧基)乙酸?
You can request a quote for 双(邻氯苯氧基)乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 双(邻氯苯氧基)乙酸?
Yes, KEHONG BIO provides custom synthesis services for 双(邻氯苯氧基)乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.