Mearnsitrin
TL;DR: Mearnsitrin (CAS 30484-88-9) 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.
2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one
Also Known As: Mearnsitrin, Mearncitrin, MEGxp0_000937, ACon1_001228, HY-N3309
| Molecular Formula | C22H22O12 |
|---|---|
| Molecular Weight | 478.11 g/mol |
| LogP | 0.4973 |
| Topological Polar Surface Area | 199.51 Ų |
| Hydrogen Bond Donors | 7 |
| Hydrogen Bond Acceptors | 12 |
| Rotatable Bonds | 4 |
| Exact Mass | 478.1111 |
| Heavy Atoms | 34 |
| Complexity | 1276.2603 |
Chemical Identifiers
| CAS Number | 30484-88-9 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC2=C(OC3=CC(=CC(=C3C2=O)O)O)C4=CC(=C(C(=C4)O)OC)O)O)O)O |
Product Overview
Mearnsitrin (CAS 30484-88-9), with molecular formula C22H22O12 and molecular weight 478.11 g/mol. IUPAC: 2-(3,5-dihydroxy-4-methoxyphenyl)-5,7-dihydroxy-3-[(2S,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxychromen-4-one.
Chemical Property Profile of Mearnsitrin
Property Insights of Mearnsitrin
The XLogP value of 0.4973 suggests moderate lipophilicity, balancing water solubility and membrane permeability for Mearnsitrin. The TPSA of 199.51 Ų indicates high polarity, suggesting Mearnsitrin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Mearnsitrin 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 Mearnsitrin?
The CAS number of Mearnsitrin is 30484-88-9.
What is the molecular formula of Mearnsitrin?
The molecular formula of Mearnsitrin is C22H22O12.
What is the molecular weight of Mearnsitrin?
The molecular weight of Mearnsitrin is 478.11 g/mol.
Where can I buy Mearnsitrin?
You can request a quote for Mearnsitrin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Mearnsitrin?
Yes, KEHONG BIO provides custom synthesis services for Mearnsitrin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.