5-氯-3a,4,7,7a-四氢-1,3-异苯并呋喃二酮
TL;DR: 5-氯-3a,4,7,7a-四氢-1,3-异苯并呋喃二酮 (CAS 14737-08-7) is a chemical compound with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-氯-3a,4,7,7a-四氢-1,3-异苯并呋喃二酮
5-chloro-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
Also Known As: 4-Chlortetrahydroftalanhydrid, 4-chloro-1,2,3,6-tetrahydrophthalic anhydride, 4-Chlortetrahydroftalanhydrid [Czech], 4-chlorotetrahydrophthalic anhydride, 5-chloro-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione
| Molecular Formula | C8H7ClO3 |
|---|---|
| Molecular Weight | 186.01 g/mol |
| LogP | 1.1 |
| Topological Polar Surface Area | 43.4 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 3 |
| Rotatable Bonds | 0 |
| Exact Mass | 186.00838 |
| Heavy Atoms | 12 |
| Complexity | 282.0 |
Chemical Identifiers
| CAS Number | 14737-08-7 |
|---|---|
| SMILES | C1C=C(CC2C1C(=O)OC2=O)Cl |
| InChIKey | BXROLDVQUZEYDH-UHFFFAOYSA-N |
Patent-Derived Application Labels
Derived from 2 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
5-氯-3a,4,7,7a-四氢-1,3-异苯并呋喃二酮 (CAS 14737-08-7), with molecular formula C8H7ClO3 and molecular weight 186.01 g/mol. IUPAC: 5-chloro-3a,4,7,7a-tetrahydro-2-benzofuran-1,3-dione.
Chemical Property Profile of 5-氯-3a,4,7,7a-四氢-1,3-异苯并呋喃二酮
Property Insights of 5-氯-3a,4,7,7a-四氢-1,3-异苯并呋喃二酮
The XLogP value of 1.1 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 5-氯-3a,4,7,7a-四氢-1,3-异苯并呋喃二酮. With a topological polar surface area (TPSA) of 43.4 Ų, 5-氯-3a,4,7,7a-四氢-1,3-异苯并呋喃二酮 exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, 5-氯-3a,4,7,7a-四氢-1,3-异苯并呋喃二酮 has 0 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-3a,4,7,7a-四氢-1,3-异苯并呋喃二酮?
The CAS number of 5-氯-3a,4,7,7a-四氢-1,3-异苯并呋喃二酮 is 14737-08-7.
What is the molecular formula of 5-氯-3a,4,7,7a-四氢-1,3-异苯并呋喃二酮?
The molecular formula of 5-氯-3a,4,7,7a-四氢-1,3-异苯并呋喃二酮 is C8H7ClO3.
What is the molecular weight of 5-氯-3a,4,7,7a-四氢-1,3-异苯并呋喃二酮?
The molecular weight of 5-氯-3a,4,7,7a-四氢-1,3-异苯并呋喃二酮 is 186.01 g/mol.
Where can I buy 5-氯-3a,4,7,7a-四氢-1,3-异苯并呋喃二酮?
You can request a quote for 5-氯-3a,4,7,7a-四氢-1,3-异苯并呋喃二酮 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 5-氯-3a,4,7,7a-四氢-1,3-异苯并呋喃二酮?
Yes, KEHONG BIO provides custom synthesis services for 5-氯-3a,4,7,7a-四氢-1,3-异苯并呋喃二酮 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.