荆芥色苷
TL;DR: 荆芥色苷 (CAS 569-90-4) is a chemical compound with molecular formula C22H22O12 and molecular weight 478.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
荆芥色苷
2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one
Also Known As: Nepitrin, Nepetin-7-glucoside, Nepetin 7-glucoside, Eupatolin 7-glucoside, 6-Methoxyluteolin 7-glucoside
| Molecular Formula | C22H22O12 |
|---|---|
| Molecular Weight | 478.11 g/mol |
| LogP | 0.5 |
| Topological Polar Surface Area | 196.0 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 5 |
| Exact Mass | 478.1111 |
| Heavy Atoms | 34 |
| Complexity | 760.0 |
| Melting Point | 252 - 256 °C |
Chemical Identifiers
| CAS Number | 569-90-4 |
|---|---|
| SMILES | COC1=C(C=C2C(=C1O)C(=O)C=C(O2)C3=CC(=C(C=C3)O)O)O[C@H]4[C@@H]([C@H]([C@@H]([C@H](O4)CO)O)O)O |
| InChIKey | DMXHXBGUNHLMQO-IWLDQSELSA-N |
Product Overview
荆芥色苷 (CAS 569-90-4), with molecular formula C22H22O12 and molecular weight 478.11 g/mol. IUPAC: 2-(3,4-dihydroxyphenyl)-5-hydroxy-6-methoxy-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-(hydroxymethyl)oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of 荆芥色苷
Property Insights of 荆芥色苷
The XLogP value of 0.5 suggests moderate lipophilicity, balancing water solubility and membrane permeability for 荆芥色苷. The TPSA of 196.0 Ų indicates high polarity, suggesting 荆芥色苷 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 荆芥色苷 has 7 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 荆芥色苷?
The CAS number of 荆芥色苷 is 569-90-4.
What is the molecular formula of 荆芥色苷?
The molecular formula of 荆芥色苷 is C22H22O12.
What is the molecular weight of 荆芥色苷?
The molecular weight of 荆芥色苷 is 478.11 g/mol.
Where can I buy 荆芥色苷?
You can request a quote for 荆芥色苷 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 荆芥色苷?
Yes, KEHONG BIO provides custom synthesis services for 荆芥色苷 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.