5-氯呋喃-2-甲酸
TL;DR: 5-氯呋喃-2-甲酸 (CAS 66794-07-8) is a chemical compound with molecular formula C5H3ClO3 and molecular weight 145.98 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氯呋喃-2-甲酸
5-chlorofuran-2-carboxylic acid
Also Known As: 5-chlorofuran-2-carboxylic acid, 5-chloro-2-furoic acid, 2-Furancarboxylic acid, 5-chloro-, 5-Chloropyromucic acid, 5-chloro-2furoic acid
| Molecular Formula | C5H3ClO3 |
|---|---|
| Molecular Weight | 145.98 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 50.4 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 1 |
| Exact Mass | 145.97707 |
| Heavy Atoms | 9 |
| Complexity | 125.0 |
Chemical Identifiers
| CAS Number | 66794-07-8 |
|---|---|
| SMILES | C1=C(OC(=C1)Cl)C(=O)O |
| InChIKey | NNTBDUTXMIMRKK-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 6 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氯呋喃-2-甲酸 (CAS 66794-07-8), with molecular formula C5H3ClO3 and molecular weight 145.98 g/mol. IUPAC: 5-chlorofuran-2-carboxylic acid.
Chemical Property Profile of 5-氯呋喃-2-甲酸
Property Insights of 5-氯呋喃-2-甲酸
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氯呋喃-2-甲酸. With a topological polar surface area (TPSA) of 50.4 Ų, 5-氯呋喃-2-甲酸 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-氯呋喃-2-甲酸 has 1 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 5-氯呋喃-2-甲酸?
The CAS number of 5-氯呋喃-2-甲酸 is 66794-07-8.
What is the molecular formula of 5-氯呋喃-2-甲酸?
The molecular formula of 5-氯呋喃-2-甲酸 is C5H3ClO3.
What is the molecular weight of 5-氯呋喃-2-甲酸?
The molecular weight of 5-氯呋喃-2-甲酸 is 145.98 g/mol.
Where can I buy 5-氯呋喃-2-甲酸?
You can request a quote for 5-氯呋喃-2-甲酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氯呋喃-2-甲酸?
Yes, KEHONG BIO provides custom synthesis services for 5-氯呋喃-2-甲酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.