海曲司明
TL;DR: 海曲司明 (CAS 218433-35-3) is a chemical compound with molecular formula C30H36O16 and molecular weight 652.20 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
海曲司明
5-(2-hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one
Also Known As: Hidrosmin, Hidiosmin, Venosmil, Venosmil (TN), Hidrosmin (mixture)
| Molecular Formula | C30H36O16 |
|---|---|
| Molecular Weight | 652.20 g/mol |
| LogP | -1.4242 |
| Topological Polar Surface Area | 247.43 Ų |
| Hydrogen Bond Donors | 8 |
| Hydrogen Bond Acceptors | 16 |
| Rotatable Bonds | 10 |
| Exact Mass | 652.2003 |
| Heavy Atoms | 46 |
| Complexity | 1559.893 |
Chemical Identifiers
| CAS Number | 218433-35-3 |
|---|---|
| SMILES | C[C@H]1[C@@H]([C@H]([C@H]([C@@H](O1)OC[C@@H]2[C@H]([C@@H]([C@H]([C@@H](O2)OC3=CC4=C(C(=C3)OCCO)C(=O)C=C(O4)C5=CC(=C(C=C5)OC)O)O)O)O)O)O)O |
Product Overview
海曲司明 (CAS 218433-35-3), with molecular formula C30H36O16 and molecular weight 652.20 g/mol. IUPAC: 5-(2-hydroxyethoxy)-2-(3-hydroxy-4-methoxyphenyl)-7-[(2S,3R,4S,5S,6R)-3,4,5-trihydroxy-6-[[(2R,3R,4R,5R,6S)-3,4,5-trihydroxy-6-methyloxan-2-yl]oxymethyl]oxan-2-yl]oxychromen-4-one.
Chemical Property Profile of 海曲司明
Property Insights of 海曲司明
The XLogP value of -1.4242 indicates that 海曲司明 is hydrophilic (water-soluble), making it suitable for aqueous formulations and biological assay applications. The TPSA of 247.43 Ų indicates high polarity, suggesting 海曲司明 may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, 海曲司明 has 8 hydrogen bond donor(s) and 16 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of 海曲司明?
The CAS number of 海曲司明 is 218433-35-3.
What is the molecular formula of 海曲司明?
The molecular formula of 海曲司明 is C30H36O16.
What is the molecular weight of 海曲司明?
The molecular weight of 海曲司明 is 652.20 g/mol.
Where can I buy 海曲司明?
You can request a quote for 海曲司明 directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for 海曲司明?
Yes, KEHONG BIO provides custom synthesis services for 海曲司明 and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.