3,4-Dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-1H-2-benzopyran-7-carboxylic acid
TL;DR: 3,4-Dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-1H-2-benzopyran-7-carboxylic acid (CAS 142689-10-9) is a chemical compound with molecular formula C12H8ClF5O5 and molecular weight 362.00 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-chloro-6,8-dihydroxy-3-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid
Also Known As: 3,4-Dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-1H-2-benzopyran-7-carboxylic acid, 1H-2-Benzopyran-7-carboxylic acid, 3,4-dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-, 1H-2-Benzopyran-7-carboxylicacid, 5-chloro-3,4-dihydro-6,8-dihydroxy-3-(1,1,2,2,2-pentafluoroethyl)-, 5-chloro-6,8-dihydroxy-3-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid, 5-CHLORO-6,8-DIHYDROXY-3-(PENTAFLUOROETHYL)-3,4-DIHYDRO-1H-2-BENZOPYRAN-7-CARBOXYLIC ACID
| Molecular Formula | C12H8ClF5O5 |
|---|---|
| Molecular Weight | 362.00 g/mol |
| LogP | 3.0883 |
| Topological Polar Surface Area | 86.99 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 361.99805 |
| Heavy Atoms | 23 |
| Complexity | 673.0309 |
Chemical Identifiers
| CAS Number | 142689-10-9 |
|---|---|
| SMILES | C1C(OCC2=C1C(=C(C(=C2O)C(=O)O)O)Cl)C(C(F)(F)F)(F)F |
Product Overview
3,4-Dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-1H-2-benzopyran-7-carboxylic acid (CAS 142689-10-9), with molecular formula C12H8ClF5O5 and molecular weight 362.00 g/mol. IUPAC: 5-chloro-6,8-dihydroxy-3-(1,1,2,2,2-pentafluoroethyl)-3,4-dihydro-1H-isochromene-7-carboxylic acid.
Chemical Property Profile of 3,4-Dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-1H-2-benzopyran-7-carboxylic acid
Property Insights of 3,4-Dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-1H-2-benzopyran-7-carboxylic acid
The XLogP value of 3.0883 indicates that 3,4-Dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-1H-2-benzopyran-7-carboxylic acid is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 86.99 Ų falls within the moderate polarity range, balancing permeability and solubility for 3,4-Dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-1H-2-benzopyran-7-carboxylic acid. Following Lipinski's Rule of Five, 3,4-Dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-1H-2-benzopyran-7-carboxylic acid has 3 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 3,4-Dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-1H-2-benzopyran-7-carboxylic acid?
The CAS number of 3,4-Dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-1H-2-benzopyran-7-carboxylic acid is 142689-10-9.
What is the molecular formula of 3,4-Dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-1H-2-benzopyran-7-carboxylic acid?
The molecular formula of 3,4-Dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-1H-2-benzopyran-7-carboxylic acid is C12H8ClF5O5.
What is the molecular weight of 3,4-Dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-1H-2-benzopyran-7-carboxylic acid?
The molecular weight of 3,4-Dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-1H-2-benzopyran-7-carboxylic acid is 362.00 g/mol.
Where can I buy 3,4-Dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-1H-2-benzopyran-7-carboxylic acid?
You can request a quote for 3,4-Dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-1H-2-benzopyran-7-carboxylic acid directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 3,4-Dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-1H-2-benzopyran-7-carboxylic acid?
Yes, KEHONG BIO provides custom synthesis services for 3,4-Dihydro-5-chloro-6,8-dihydroxy-3-(pentafluoroethyl)-1H-2-benzopyran-7-carboxylic acid and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.