3,4-二氯-α-羟基苯丙酸
TL;DR: 3,4-二氯-α-羟基苯丙酸 (CAS 68921-93-7) is a chemical compound with molecular formula C9H8Cl2O3 and molecular weight 233.99 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,4-二氯-α-羟基苯丙酸
3-(3,4-dichlorophenyl)-2-hydroxypropanoic acid
Also Known As: 3-(3,4-Dichlorophenyl)lactic acid, 3-(3,4-dichlorophenyl)-2-hydroxypropanoic acid, 3,4-Dichloro-beta-phenyllactic acid, 3,4-Dichloro-.beta.-phenyllactic acid, Benzenepropanoic acid, 3,4-dichloro-alpha-hydroxy-
| Molecular Formula | C9H8Cl2O3 |
|---|---|
| Molecular Weight | 233.99 g/mol |
| LogP | 2.4 |
| Topological Polar Surface Area | 57.5 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 3 |
| Exact Mass | 233.98505 |
| Heavy Atoms | 14 |
| Complexity | 210.0 |
Chemical Identifiers
| CAS Number | 68921-93-7 |
|---|---|
| SMILES | C1=CC(=C(C=C1CC(C(=O)O)O)Cl)Cl |
| InChIKey | QREPBOPOIRZWDG-UHFFFAOYSA-N |
Product Overview
3,4-二氯-α-羟基苯丙酸 (CAS 68921-93-7), with molecular formula C9H8Cl2O3 and molecular weight 233.99 g/mol. IUPAC: 3-(3,4-dichlorophenyl)-2-hydroxypropanoic acid.
Chemical Property Profile of 3,4-二氯-α-羟基苯丙酸
Property Insights of 3,4-二氯-α-羟基苯丙酸
The XLogP value of 2.4 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,4-二氯-α-羟基苯丙酸. With a topological polar surface area (TPSA) of 57.5 Ų, 3,4-二氯-α-羟基苯丙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,4-二氯-α-羟基苯丙酸 has 2 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 3,4-二氯-α-羟基苯丙酸?
The CAS number of 3,4-二氯-α-羟基苯丙酸 is 68921-93-7.
What is the molecular formula of 3,4-二氯-α-羟基苯丙酸?
The molecular formula of 3,4-二氯-α-羟基苯丙酸 is C9H8Cl2O3.
What is the molecular weight of 3,4-二氯-α-羟基苯丙酸?
The molecular weight of 3,4-二氯-α-羟基苯丙酸 is 233.99 g/mol.
Where can I buy 3,4-二氯-α-羟基苯丙酸?
You can request a quote for 3,4-二氯-α-羟基苯丙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-二氯-α-羟基苯丙酸?
Yes, KEHONG BIO provides custom synthesis services for 3,4-二氯-α-羟基苯丙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.