α,α-二氯苯乙酸
TL;DR: α,α-二氯苯乙酸 (CAS 61031-72-9) is a chemical compound with molecular formula C8H6Cl2O2 and molecular weight 203.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
α,α-二氯苯乙酸
2,2-dichloro-2-phenylacetic acid
Also Known As: dichlorophenylacetic acid, dichlorophenyl-acetic acid, 2,2-dichloro-2-phenylacetic acid, ALPHA,ALPHA-DICHLOROPHENYLACETIC ACID, DICHLORO(PHENYL)ACETIC ACID
| Molecular Formula | C8H6Cl2O2 |
|---|---|
| Molecular Weight | 203.97 g/mol |
| LogP | 2.6 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 203.97449 |
| Heavy Atoms | 12 |
| Complexity | 174.0 |
Chemical Identifiers
| CAS Number | 61031-72-9 |
|---|---|
| SMILES | C1=CC=C(C=C1)C(C(=O)O)(Cl)Cl |
| InChIKey | MENJBAPSEVYSIK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 9 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
α,α-二氯苯乙酸 (CAS 61031-72-9), with molecular formula C8H6Cl2O2 and molecular weight 203.97 g/mol. IUPAC: 2,2-dichloro-2-phenylacetic acid.
Chemical Property Profile of α,α-二氯苯乙酸
Property Insights of α,α-二氯苯乙酸
The XLogP value of 2.6 suggests moderate lipophilicity, balancing water solubility and membrane permeability for α,α-二氯苯乙酸. With a topological polar surface area (TPSA) of 37.3 Ų, α,α-二氯苯乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, α,α-二氯苯乙酸 has 1 hydrogen bond donor(s) and 2 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 α,α-二氯苯乙酸?
The CAS number of α,α-二氯苯乙酸 is 61031-72-9.
What is the molecular formula of α,α-二氯苯乙酸?
The molecular formula of α,α-二氯苯乙酸 is C8H6Cl2O2.
What is the molecular weight of α,α-二氯苯乙酸?
The molecular weight of α,α-二氯苯乙酸 is 203.97 g/mol.
Where can I buy α,α-二氯苯乙酸?
You can request a quote for α,α-二氯苯乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for α,α-二氯苯乙酸?
Yes, KEHONG BIO provides custom synthesis services for α,α-二氯苯乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.