2,2-二氯丁酸
TL;DR: 2,2-二氯丁酸 (CAS 13023-00-2) is a chemical compound with molecular formula C4H6Cl2O2 and molecular weight 155.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2,2-二氯丁酸
2,2-dichlorobutanoic acid
Also Known As: 2,2-Dichlorobutanoic acid, 2,2-Dichlorbuttersaeure, 2,2-DICHLOROBUTYRIC ACID, Butanoic acid, 2,2-dichloro-, Butyric acid, 2,2-dichloro-
| Molecular Formula | C4H6Cl2O2 |
|---|---|
| Molecular Weight | 155.97 g/mol |
| LogP | 1.9 |
| Topological Polar Surface Area | 37.3 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 2 |
| Rotatable Bonds | 2 |
| Exact Mass | 155.97449 |
| Heavy Atoms | 8 |
| Complexity | 100.0 |
Chemical Identifiers
| CAS Number | 13023-00-2 |
|---|---|
| SMILES | CCC(C(=O)O)(Cl)Cl |
| InChIKey | OBLYWUBMZGHQDN-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 12 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
2,2-二氯丁酸 (CAS 13023-00-2), with molecular formula C4H6Cl2O2 and molecular weight 155.97 g/mol. IUPAC: 2,2-dichlorobutanoic acid.
Chemical Property Profile of 2,2-二氯丁酸
Property Insights of 2,2-二氯丁酸
The XLogP value of 1.9 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 2,2-二氯丁酸. With a topological polar surface area (TPSA) of 37.3 Ų, 2,2-二氯丁酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 2,2-二氯丁酸 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 2,2-二氯丁酸?
The CAS number of 2,2-二氯丁酸 is 13023-00-2.
What is the molecular formula of 2,2-二氯丁酸?
The molecular formula of 2,2-二氯丁酸 is C4H6Cl2O2.
What is the molecular weight of 2,2-二氯丁酸?
The molecular weight of 2,2-二氯丁酸 is 155.97 g/mol.
Where can I buy 2,2-二氯丁酸?
You can request a quote for 2,2-二氯丁酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 2,2-二氯丁酸?
Yes, KEHONG BIO provides custom synthesis services for 2,2-二氯丁酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.