丹参酮IIA磺酸
TL;DR: 丹参酮IIA磺酸 (CAS 105937-56-2) is a chemical compound with molecular formula C19H18O6S and molecular weight 374.08 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
丹参酮IIA磺酸
1,6,6-trimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-2-sulfonic acid
Also Known As: Tanshinone iia sulfonic acid, tanshinone IIA sulfonate, sodium-tanshinone-II-A-sulfonate, 1,6,6-trimethyl-10,11-dioxo-6,7,8,9,10,11-hexahydrophenanthro[1,2-b]furan-2-sulfonic acid, BRD-K84798689-236-01-1
| Molecular Formula | C19H18O6S |
|---|---|
| Molecular Weight | 374.08 g/mol |
| LogP | 3.4 |
| Topological Polar Surface Area | 110.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 6 |
| Rotatable Bonds | 1 |
| Exact Mass | 374.0824 |
| Heavy Atoms | 26 |
| Complexity | 736.0 |
Chemical Identifiers
| CAS Number | 105937-56-2 |
|---|---|
| SMILES | CC1=C(OC2=C1C(=O)C(=O)C3=C2C=CC4=C3CCCC4(C)C)S(=O)(=O)O |
| InChIKey | UJCACMLMPLLRGW-UHFFFAOYSA-N |
Product Overview
丹参酮IIA磺酸 (CAS 105937-56-2), with molecular formula C19H18O6S and molecular weight 374.08 g/mol. IUPAC: 1,6,6-trimethyl-10,11-dioxo-8,9-dihydro-7H-naphtho[1,2-g][1]benzofuran-2-sulfonic acid.
Chemical Property Profile of 丹参酮IIA磺酸
Property Insights of 丹参酮IIA磺酸
The XLogP value of 3.4 indicates that 丹参酮IIA磺酸 is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 110.0 Ų falls within the moderate polarity range, balancing permeability and solubility for 丹参酮IIA磺酸. Following Lipinski's Rule of Five, 丹参酮IIA磺酸 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 丹参酮IIA磺酸?
The CAS number of 丹参酮IIA磺酸 is 105937-56-2.
What is the molecular formula of 丹参酮IIA磺酸?
The molecular formula of 丹参酮IIA磺酸 is C19H18O6S.
What is the molecular weight of 丹参酮IIA磺酸?
The molecular weight of 丹参酮IIA磺酸 is 374.08 g/mol.
Where can I buy 丹参酮IIA磺酸?
You can request a quote for 丹参酮IIA磺酸 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 丹参酮IIA磺酸?
Yes, KEHONG BIO provides custom synthesis services for 丹参酮IIA磺酸 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.