Iristectorin B
TL;DR: Iristectorin B (CAS 94396-09-5) is a chemical compound with molecular formula C23H24O12 and molecular weight 492.13 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Iristectorin B, IristectorinB, J2.165.593G, 5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one, 5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-{[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxy}-4H-chromen-4-one
| Molecular Formula | C23H24O12 |
|---|---|
| Molecular Weight | 492.13 g/mol |
| LogP | 0.0671 |
| Topological Polar Surface Area | 188.51 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 6 |
| Exact Mass | 492.12677 |
| Heavy Atoms | 35 |
| Complexity | 1283.7124 |
Chemical Identifiers
| CAS Number | 94396-09-5 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)C2=COC3=CC(=C(C(=C3C2=O)O)OC)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O)O |
Product Overview
Iristectorin B (CAS 94396-09-5), with molecular formula C23H24O12 and molecular weight 492.13 g/mol. IUPAC: 5-hydroxy-3-(4-hydroxy-3-methoxyphenyl)-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Iristectorin B
Property Insights of Iristectorin B
The XLogP value of 0.0671 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Iristectorin B. The TPSA of 188.51 Ų indicates high polarity, suggesting Iristectorin B may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Iristectorin B has 6 hydrogen bond donor(s) and 12 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Iristectorin B?
The CAS number of Iristectorin B is 94396-09-5.
What is the molecular formula of Iristectorin B?
The molecular formula of Iristectorin B is C23H24O12.
What is the molecular weight of Iristectorin B?
The molecular weight of Iristectorin B is 492.13 g/mol.
Where can I buy Iristectorin B?
You can request a quote for Iristectorin B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Iristectorin B?
Yes, KEHONG BIO provides custom synthesis services for Iristectorin B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.