Spiro(benzofuran-2(3H),1'-cyclohexane)-2'-carboxylic acid, 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-, methyl ester, (1'alpha,2'beta,3'beta,6'alpha)-
TL;DR: Spiro(benzofuran-2(3H),1'-cyclohexane)-2'-carboxylic acid, 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-, methyl ester, (1'alpha,2'beta,3'beta,6'alpha)- (CAS 61227-39-2) is a chemical compound with molecular formula C16H17ClO6 and molecular weight 340.07 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
methyl 6'-chloro-3'-hydroxy-4-methoxy-3-oxospiro[1-benzofuran-2,2'-cyclohexane]-1'-carboxylate
Also Known As: Spiro(benzofuran-2(3H),1'-cyclohexane)-2'-carboxylic acid, 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-, methyl ester, (1'alpha,2'beta,3'beta,6'alpha)-, Methyl 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-3H-spiro[[1]benzofuran-2,1'-cyclohexane]-2'-carboxylate, Methyl 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-3H-spiro[1-benzofuran-2,1'-cyclohexane]-2'-carboxylate, Methyl 6'-chloro-3'-hydroxy-4-methoxy-3-oxo-spiro[benzofuran-2,2'-cyclohexane]-1'-carboxylate, methyl 6'-chloro-3'-hydroxy-4-methoxy-3-oxospiro[1-benzofuran-2,2'-cyclohexane]-1'-carboxylate
| Molecular Formula | C16H17ClO6 |
|---|---|
| Molecular Weight | 340.07 g/mol |
| LogP | 1.7 |
| Topological Polar Surface Area | 82.1 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 3 |
| Exact Mass | 340.07138 |
| Heavy Atoms | 23 |
| Complexity | 497.0 |
Chemical Identifiers
| CAS Number | 61227-39-2 |
|---|---|
| SMILES | COC1=CC=CC2=C1C(=O)C3(O2)C(CCC(C3C(=O)OC)Cl)O |
| InChIKey | HMVWJFJBGCTMLD-UHFFFAOYSA-N |
Product Overview
Spiro(benzofuran-2(3H),1'-cyclohexane)-2'-carboxylic acid, 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-, methyl ester, (1'alpha,2'beta,3'beta,6'alpha)- (CAS 61227-39-2), with molecular formula C16H17ClO6 and molecular weight 340.07 g/mol. IUPAC: methyl 6'-chloro-3'-hydroxy-4-methoxy-3-oxospiro[1-benzofuran-2,2'-cyclohexane]-1'-carboxylate.
Chemical Property Profile of Spiro(benzofuran-2(3H),1'-cyclohexane)-2'-carboxylic acid, 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-, methyl ester, (1'alpha,2'beta,3'beta,6'alpha)-
Property Insights of Spiro(benzofuran-2(3H),1'-cyclohexane)-2'-carboxylic acid, 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-, methyl ester, (1'alpha,2'beta,3'beta,6'alpha)-
The XLogP value of 1.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Spiro(benzofuran-2(3H),1'-cyclohexane)-2'-carboxylic acid, 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-, methyl ester, (1'alpha,2'beta,3'beta,6'alpha)-. The TPSA of 82.1 Ų falls within the moderate polarity range, balancing permeability and solubility for Spiro(benzofuran-2(3H),1'-cyclohexane)-2'-carboxylic acid, 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-, methyl ester, (1'alpha,2'beta,3'beta,6'alpha)-. Following Lipinski's Rule of Five, Spiro(benzofuran-2(3H),1'-cyclohexane)-2'-carboxylic acid, 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-, methyl ester, (1'alpha,2'beta,3'beta,6'alpha)- has 1 hydrogen bond donor(s) and 6 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 Spiro(benzofuran-2(3H),1'-cyclohexane)-2'-carboxylic acid, 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-, methyl ester, (1'alpha,2'beta,3'beta,6'alpha)-?
The CAS number of Spiro(benzofuran-2(3H),1'-cyclohexane)-2'-carboxylic acid, 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-, methyl ester, (1'alpha,2'beta,3'beta,6'alpha)- is 61227-39-2.
What is the molecular formula of Spiro(benzofuran-2(3H),1'-cyclohexane)-2'-carboxylic acid, 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-, methyl ester, (1'alpha,2'beta,3'beta,6'alpha)-?
The molecular formula of Spiro(benzofuran-2(3H),1'-cyclohexane)-2'-carboxylic acid, 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-, methyl ester, (1'alpha,2'beta,3'beta,6'alpha)- is C16H17ClO6.
What is the molecular weight of Spiro(benzofuran-2(3H),1'-cyclohexane)-2'-carboxylic acid, 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-, methyl ester, (1'alpha,2'beta,3'beta,6'alpha)-?
The molecular weight of Spiro(benzofuran-2(3H),1'-cyclohexane)-2'-carboxylic acid, 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-, methyl ester, (1'alpha,2'beta,3'beta,6'alpha)- is 340.07 g/mol.
Where can I buy Spiro(benzofuran-2(3H),1'-cyclohexane)-2'-carboxylic acid, 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-, methyl ester, (1'alpha,2'beta,3'beta,6'alpha)-?
You can request a quote for Spiro(benzofuran-2(3H),1'-cyclohexane)-2'-carboxylic acid, 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-, methyl ester, (1'alpha,2'beta,3'beta,6'alpha)- directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Spiro(benzofuran-2(3H),1'-cyclohexane)-2'-carboxylic acid, 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-, methyl ester, (1'alpha,2'beta,3'beta,6'alpha)-?
Yes, KEHONG BIO provides custom synthesis services for Spiro(benzofuran-2(3H),1'-cyclohexane)-2'-carboxylic acid, 3'-chloro-6'-hydroxy-4-methoxy-3-oxo-, methyl ester, (1'alpha,2'beta,3'beta,6'alpha)- and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.