Strobilanthin
TL;DR: Strobilanthin (CAS 12037-84-2) is a chemical compound with molecular formula C22H22O9 and molecular weight 430.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
2-[3-[4,5-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-5,7-dimethoxychromen-4-one
Also Known As: Strobilanthin, Dimethyl 4-nitro-2-methylphenyl phosphate, dimethyl (2-methyl-4-nitrophenyl) phosphate, 2-[3-[4,5-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-5,7-dimethoxychromen-4-one, 4H-1-Benzopyran-4-one, 2-(4-(D-apio-beta-D-furanosyloxy)phenyl)-5,7-dimethoxy-
| Molecular Formula | C22H22O9 |
|---|---|
| Molecular Weight | 430.13 g/mol |
| LogP | 1.8 |
| Topological Polar Surface Area | 124.0 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 6 |
| Exact Mass | 430.12637 |
| Heavy Atoms | 31 |
| Complexity | 682.0 |
Chemical Identifiers
| CAS Number | 12037-84-2 |
|---|---|
| SMILES | COC1=CC2=C(C(=C1)OC)C(=O)C=C(O2)C3=CC(=CC=C3)OC4CC(C(O4)(CO)O)O |
| InChIKey | NKBJLRQCKHCYPR-UHFFFAOYSA-N |
Product Overview
Strobilanthin (CAS 12037-84-2), with molecular formula C22H22O9 and molecular weight 430.13 g/mol. IUPAC: 2-[3-[4,5-dihydroxy-5-(hydroxymethyl)oxolan-2-yl]oxyphenyl]-5,7-dimethoxychromen-4-one.
Chemical Property Profile of Strobilanthin
Property Insights of Strobilanthin
The XLogP value of 1.8 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Strobilanthin. The TPSA of 124.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Strobilanthin. Following Lipinski's Rule of Five, Strobilanthin has 3 hydrogen bond donor(s) and 9 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 Strobilanthin?
The CAS number of Strobilanthin is 12037-84-2.
What is the molecular formula of Strobilanthin?
The molecular formula of Strobilanthin is C22H22O9.
What is the molecular weight of Strobilanthin?
The molecular weight of Strobilanthin is 430.13 g/mol.
Where can I buy Strobilanthin?
You can request a quote for Strobilanthin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Strobilanthin?
Yes, KEHONG BIO provides custom synthesis services for Strobilanthin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.