木质素磺酸钙
TL;DR: 木质素磺酸钙 (CAS 8061-52-7) is a chemical compound with molecular formula C20H24CaO10S2 and molecular weight 528.04 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
木质素磺酸钙
calcium 3-(2-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulfonatopropyl)phenoxy]propane-1-sulfonate
Also Known As: CALCIUM LIGNOSULFONATE, Lignosulfonic acid, calcium salt, Caswell No. 146, Lignin calcium sulfonate, Calcium Lignin Sulfonate
| Molecular Formula | C20H24CaO10S2 |
|---|---|
| Molecular Weight | 528.04 g/mol |
| LogP | 1.04 |
| Topological Polar Surface Area | 179.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 10 |
| Rotatable Bonds | 10 |
| Exact Mass | 528.0437 |
| Heavy Atoms | 33 |
| Complexity | 732.0 |
Chemical Identifiers
| CAS Number | 8061-52-7 |
|---|---|
| SMILES | COC1=CC=CC(=C1O)CC(CS(=O)(=O)[O-])OC2=C(C=C(C=C2)CCCS(=O)(=O)[O-])OC.[Ca+2] |
| InChIKey | RYAGRZNBULDMBW-UHFFFAOYSA-L |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
木质素磺酸钙 (CAS 8061-52-7), with molecular formula C20H24CaO10S2 and molecular weight 528.04 g/mol. IUPAC: calcium 3-(2-hydroxy-3-methoxyphenyl)-2-[2-methoxy-4-(3-sulfonatopropyl)phenoxy]propane-1-sulfonate.
Chemical Property Profile of 木质素磺酸钙
Property Insights of 木质素磺酸钙
The XLogP value of 1.04 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 木质素磺酸钙. The TPSA of 179.0 Ų indicates high polarity, suggesting 木质素磺酸钙 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 木质素磺酸钙 has 1 hydrogen bond donor(s) and 10 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 木质素磺酸钙?
The CAS number of 木质素磺酸钙 is 8061-52-7.
What is the molecular formula of 木质素磺酸钙?
The molecular formula of 木质素磺酸钙 is C20H24CaO10S2.
What is the molecular weight of 木质素磺酸钙?
The molecular weight of 木质素磺酸钙 is 528.04 g/mol.
Where can I buy 木质素磺酸钙?
You can request a quote for 木质素磺酸钙 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 木质素磺酸钙?
Yes, KEHONG BIO provides custom synthesis services for 木质素磺酸钙 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.