硫酸哈伦醌醇
TL;DR: 硫酸哈伦醌醇 (CAS 99528-87-7) is a chemical compound with molecular formula C20H14NaO8S+ and molecular weight 437.03 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
硫酸哈伦醌醇
sodium [(1S)-8-hydroxy-1-methyl-12,17-dioxo-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2,4,6,8,10,13(20),15-heptaen-5-yl] hydrogen sulfate
Also Known As: Halenaquinol sulfate, 1H-Benzo(6,7)phenanthro(10,1-bc)furan-3,6(2H,12bH)-dione, 8-hydroxy-12b-methyl-11-(sulfooxy)-, monosodium salt, (S)-, sodium;[(1S)-8-hydroxy-1-methyl-12,17-dioxo-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2,4,6,8,10,13(20),15-heptaen-5-yl] hydrogen sulfate, RefChem:145028
| Molecular Formula | C20H14NaO8S+ |
|---|---|
| Molecular Weight | 437.03 g/mol |
| LogP | 0.1509 |
| Topological Polar Surface Area | 139.0 Ų |
| Hydrogen Bond Donors | 2 |
| Hydrogen Bond Acceptors | 8 |
| Rotatable Bonds | 2 |
| Exact Mass | 437.0307 |
| Heavy Atoms | 30 |
| Complexity | 834.0 |
Chemical Identifiers
| CAS Number | 99528-87-7 |
|---|---|
| SMILES | C[C@@]12CCC(=O)C3=COC(=C31)C(=O)C4=CC5=C(C=CC(=C5C=C24)OS(=O)(=O)O)O.[Na+] |
| InChIKey | GCVHMYXVBXEDEI-BDQAORGHSA-N |
Product Overview
硫酸哈伦醌醇 (CAS 99528-87-7), with molecular formula C20H14NaO8S+ and molecular weight 437.03 g/mol. IUPAC: sodium [(1S)-8-hydroxy-1-methyl-12,17-dioxo-14-oxapentacyclo[11.6.1.02,11.04,9.016,20]icosa-2,4,6,8,10,13(20),15-heptaen-5-yl] hydrogen sulfate.
Chemical Property Profile of 硫酸哈伦醌醇
Property Insights of 硫酸哈伦醌醇
The XLogP value of 0.1509 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 硫酸哈伦醌醇. The TPSA of 139.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 硫酸哈伦醌醇. Following Lipinski's Rule of Five, 硫酸哈伦醌醇 has 2 hydrogen bond donor(s) and 8 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 硫酸哈伦醌醇?
The CAS number of 硫酸哈伦醌醇 is 99528-87-7.
What is the molecular formula of 硫酸哈伦醌醇?
The molecular formula of 硫酸哈伦醌醇 is C20H14NaO8S+.
What is the molecular weight of 硫酸哈伦醌醇?
The molecular weight of 硫酸哈伦醌醇 is 437.03 g/mol.
Where can I buy 硫酸哈伦醌醇?
You can request a quote for 硫酸哈伦醌醇 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 硫酸哈伦醌醇?
Yes, KEHONG BIO provides custom synthesis services for 硫酸哈伦醌醇 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.