3,5-二氯-4-氧代-4H-吡啶-1-乙酸
TL;DR: 3,5-二氯-4-氧代-4H-吡啶-1-乙酸 (CAS 56187-37-2) is a chemical compound with molecular formula C7H5Cl2NO3 and molecular weight 220.96 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
3,5-二氯-4-氧代-4H-吡啶-1-乙酸
2-(3,5-dichloro-4-oxo-1-pyridinyl)acetic acid
Also Known As: 3,5-DICHLORO-4-PYRIDONE-1-ACETIC ACID, 3,5-Dichloro-4-pyridone-N-acetic acid, 2-(3,5-Dichloro-4-oxopyridin-1(4H)-yl)acetic acid, Cefazedone Impurity 13, 1(4H)-Pyridineacetic acid, 3,5-dichloro-4-oxo-
| Molecular Formula | C7H5Cl2NO3 |
|---|---|
| Molecular Weight | 220.96 g/mol |
| LogP | 1.5 |
| Topological Polar Surface Area | 57.6 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 220.96465 |
| Heavy Atoms | 13 |
| Complexity | 300.0 |
Chemical Identifiers
| CAS Number | 56187-37-2 |
|---|---|
| SMILES | C1=C(C(=O)C(=CN1CC(=O)O)Cl)Cl |
| InChIKey | MFMXEEQESUEMSB-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
3,5-二氯-4-氧代-4H-吡啶-1-乙酸 (CAS 56187-37-2), with molecular formula C7H5Cl2NO3 and molecular weight 220.96 g/mol. IUPAC: 2-(3,5-dichloro-4-oxo-1-pyridinyl)acetic acid.
Chemical Property Profile of 3,5-二氯-4-氧代-4H-吡啶-1-乙酸
Property Insights of 3,5-二氯-4-氧代-4H-吡啶-1-乙酸
The XLogP value of 1.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 3,5-二氯-4-氧代-4H-吡啶-1-乙酸. With a topological polar surface area (TPSA) of 57.6 Ų, 3,5-二氯-4-氧代-4H-吡啶-1-乙酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 3,5-二氯-4-氧代-4H-吡啶-1-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 3,5-二氯-4-氧代-4H-吡啶-1-乙酸?
The CAS number of 3,5-二氯-4-氧代-4H-吡啶-1-乙酸 is 56187-37-2.
What is the molecular formula of 3,5-二氯-4-氧代-4H-吡啶-1-乙酸?
The molecular formula of 3,5-二氯-4-氧代-4H-吡啶-1-乙酸 is C7H5Cl2NO3.
What is the molecular weight of 3,5-二氯-4-氧代-4H-吡啶-1-乙酸?
The molecular weight of 3,5-二氯-4-氧代-4H-吡啶-1-乙酸 is 220.96 g/mol.
Where can I buy 3,5-二氯-4-氧代-4H-吡啶-1-乙酸?
You can request a quote for 3,5-二氯-4-氧代-4H-吡啶-1-乙酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,5-二氯-4-氧代-4H-吡啶-1-乙酸?
Yes, KEHONG BIO provides custom synthesis services for 3,5-二氯-4-氧代-4H-吡啶-1-乙酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.