磺基脱氢松香酸二钠盐
TL;DR: 磺基脱氢松香酸二钠盐 (CAS 86408-71-1) is a chemical compound with molecular formula C20H27Na2O5S+ and molecular weight 425.14 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
磺基脱氢松香酸二钠盐
disodium;(4bR,8R,8aR)-8-methoxycarbonyl-4b-methyl-2-propan-2-yl-6,7,8,8a,9,10-hexahydro-5H-phenanthrene-3-sulfonate
Also Known As: TA-2711 disodium salt, Sulfodehydroabietic acid disodium salt, 1-Phenanthrenecarboxylic acid, 1,2,3,4,4a,9,10,10a-octahydro-1,4-dimethyl-7-(1-methylethyl)-6-sulfo-, disodium salt, (1R-(1-alpha,4a-beta,10a-alpha))-, disodium (4bR,8R,8aR)-8-methoxycarbonyl-4b-methyl-2-propan-2-yl-6,7,8,8a,9,10-hexahydro-5H-phenanthrene-3-sulfonate, RefChem:1099187
| Molecular Formula | C20H27Na2O5S+ |
|---|---|
| Molecular Weight | 425.14 g/mol |
| LogP | -2.4847 |
| Topological Polar Surface Area | 91.9 Ų |
| Hydrogen Bond Donors | 0 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 3 |
| Exact Mass | 425.13745 |
| Heavy Atoms | 28 |
| Complexity | 624.0 |
Chemical Identifiers
| CAS Number | 86408-71-1 |
|---|---|
| SMILES | CC(C)C1=C(C=C2C(=C1)CC[C@H]3[C@]2(CCC[C@H]3C(=O)OC)C)S(=O)(=O)[O-].[Na+].[Na+] |
| InChIKey | PNDTYRBGLSFENN-BHBOXIKLSA-M |
Product Overview
磺基脱氢松香酸二钠盐 (CAS 86408-71-1), with molecular formula C20H27Na2O5S+ and molecular weight 425.14 g/mol. IUPAC: disodium;(4bR,8R,8aR)-8-methoxycarbonyl-4b-methyl-2-propan-2-yl-6,7,8,8a,9,10-hexahydro-5H-phenanthrene-3-sulfonate.
Chemical Property Profile of 磺基脱氢松香酸二钠盐
Property Insights of 磺基脱氢松香酸二钠盐
The XLogP value of -2.4847 indicates that 磺基脱氢松香酸二钠盐 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 91.9 Ų falls within the moderate polarity range, balancing permeability and solubility for 磺基脱氢松香酸二钠盐. Following Lipinski's Rule of Five, 磺基脱氢松香酸二钠盐 has 0 hydrogen bond donor(s) and 5 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 磺基脱氢松香酸二钠盐?
The CAS number of 磺基脱氢松香酸二钠盐 is 86408-71-1.
What is the molecular formula of 磺基脱氢松香酸二钠盐?
The molecular formula of 磺基脱氢松香酸二钠盐 is C20H27Na2O5S+.
What is the molecular weight of 磺基脱氢松香酸二钠盐?
The molecular weight of 磺基脱氢松香酸二钠盐 is 425.14 g/mol.
Where can I buy 磺基脱氢松香酸二钠盐?
You can request a quote for 磺基脱氢松香酸二钠盐 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 磺基脱氢松香酸二钠盐?
Yes, KEHONG BIO provides custom synthesis services for 磺基脱氢松香酸二钠盐 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.