愈创木酚磺酸钙
TL;DR: 愈创木酚磺酸钙 (CAS 7546-27-2) is a chemical compound with molecular formula C14H14CaO10S2 and molecular weight 445.97 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
愈创木酚磺酸钙
calcium bis(3-hydroxy-4-methoxybenzenesulfonate)
Also Known As: Calcium guaiacol sulfonate, Calcium guaiacol sulphonate, calcium 5-guaiacolsulfonate, CALCIUM GUAIACOLSULFONATE, C7H8O5S.1/2Ca
| Molecular Formula | C14H14CaO10S2 |
|---|---|
| Molecular Weight | 445.97 g/mol |
| LogP | 0.23 |
| Topological Polar Surface Area | 190.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 2 |
| Exact Mass | 445.96542 |
| Heavy Atoms | 27 |
| Complexity | 241.0 |
Chemical Identifiers
| CAS Number | 7546-27-2 |
|---|---|
| SMILES | COC1=C(C=C(C=C1)S(=O)(=O)[O-])O.COC1=C(C=C(C=C1)S(=O)(=O)[O-])O.[Ca+2] |
| InChIKey | WALXQRGOMGLHJR-UHFFFAOYSA-L |
Product Overview
愈创木酚磺酸钙 (CAS 7546-27-2), with molecular formula C14H14CaO10S2 and molecular weight 445.97 g/mol. IUPAC: calcium bis(3-hydroxy-4-methoxybenzenesulfonate).
Chemical Property Profile of 愈创木酚磺酸钙
Property Insights of 愈创木酚磺酸钙
The XLogP value of 0.23 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 愈创木酚磺酸钙. The TPSA of 190.0 Ų indicates high polarity, suggesting 愈创木酚磺酸钙 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 愈创木酚磺酸钙 has 2 hydrogen bond donor(s) and 10 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 愈创木酚磺酸钙?
The CAS number of 愈创木酚磺酸钙 is 7546-27-2.
What is the molecular formula of 愈创木酚磺酸钙?
The molecular formula of 愈创木酚磺酸钙 is C14H14CaO10S2.
What is the molecular weight of 愈创木酚磺酸钙?
The molecular weight of 愈创木酚磺酸钙 is 445.97 g/mol.
Where can I buy 愈创木酚磺酸钙?
You can request a quote for 愈创木酚磺酸钙 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 愈创木酚磺酸钙?
Yes, KEHONG BIO provides custom synthesis services for 愈创木酚磺酸钙 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.