Neohydnocarpin
TL;DR: Neohydnocarpin (CAS 71417-57-7) is a chemical compound with molecular formula C25H20O9 and molecular weight 464.11 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(5S,6S)-2,3,8,10-tetrahydroxy-5-(4-hydroxy-3-methoxyphenyl)-6-(hydroxymethyl)-5,6-dihydrobenzo[c]xanthen-7-one
Also Known As: Neohydnocarpin, (5S,6S)-2,3,8,10-tetrahydroxy-5-(4-hydroxy-3-methoxyphenyl)-6-(hydroxymethyl)-5,6-dihydrobenzo[c]xanthen-7-one, cis-(-)-5,6-Dihydro-2,3,8,10-tetrahydroxy-5-(4-hydroxy-3-methoxyphenyl)-6-(hydroxymethyl)-7H-benzo(c)xanthen-7-one, (5S,6S)-2,3,8,10-Tetrahydroxy-5-(4-hydroxy-3-methoxyphenyl)-6-(hydroxymethyl)-5,6-dihydro-7H-benzo[c]xanthen-7-one, (5S,6S)-2,3,8,10-tetrahydroxy-5-(4-hydroxy-3-methoxyphenyl)-6-(hydroxymethyl)-5,6-dihydrobenzo(c)xanthen-7-one
| Molecular Formula | C25H20O9 |
|---|---|
| Molecular Weight | 464.11 g/mol |
| LogP | 3.218 |
| Topological Polar Surface Area | 160.82 Ų |
| Hydrogen Bond Donors | 6 |
| Hydrogen Bond Acceptors | 9 |
| Rotatable Bonds | 3 |
| Exact Mass | 464.11072 |
| Heavy Atoms | 34 |
| Complexity | 1519.8335 |
Chemical Identifiers
| CAS Number | 71417-57-7 |
|---|---|
| SMILES | COC1=C(C=CC(=C1)[C@@H]2[C@@H](C3=C(C4=CC(=C(C=C24)O)O)OC5=CC(=CC(=C5C3=O)O)O)CO)O |
Product Overview
Neohydnocarpin (CAS 71417-57-7), with molecular formula C25H20O9 and molecular weight 464.11 g/mol. IUPAC: (5S,6S)-2,3,8,10-tetrahydroxy-5-(4-hydroxy-3-methoxyphenyl)-6-(hydroxymethyl)-5,6-dihydrobenzo[c]xanthen-7-one.
Chemical Property Profile of Neohydnocarpin
Property Insights of Neohydnocarpin
The XLogP value of 3.218 indicates that Neohydnocarpin is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 160.82 Ų indicates high polarity, suggesting Neohydnocarpin may have limited membrane permeability but good aqueous solubility. Following Lipinski's Rule of Five, Neohydnocarpin has 6 hydrogen bond donor(s) and 9 hydrogen bond acceptor(s), which may warrant consideration for formulation optimization.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Neohydnocarpin?
The CAS number of Neohydnocarpin is 71417-57-7.
What is the molecular formula of Neohydnocarpin?
The molecular formula of Neohydnocarpin is C25H20O9.
What is the molecular weight of Neohydnocarpin?
The molecular weight of Neohydnocarpin is 464.11 g/mol.
Where can I buy Neohydnocarpin?
You can request a quote for Neohydnocarpin directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Neohydnocarpin?
Yes, KEHONG BIO provides custom synthesis services for Neohydnocarpin and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.