Isoneotriptophenolide
TL;DR: Isoneotriptophenolide (CAS 104331-86-4) is a chemical compound with molecular formula C21H26O4 and molecular weight 342.18 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(3bR,9bS)-8-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one
Also Known As: Isoneotriptophenolide, KST-1A0651, (3br,9bs)-8-hydroxy-6-methoxy-9b-methyl-7-(propan-2-yl)-3b,4,5,9b,10,11-hexahydrophenanthro[1,2-c]furan-1(3h)-one, (3bR,9bS)-8-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one, Phenanthro[1,2-c]furan-1(3H)-one,3b,4,5,9b,10,11-hexahydro-8-hydroxy-6-methoxy-9b-methyl-7-(1-methylethyl)-,(3bR,9bS)- (9CI)
| Molecular Formula | C21H26O4 |
|---|---|
| Molecular Weight | 342.18 g/mol |
| LogP | 4.0 |
| Topological Polar Surface Area | 55.8 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 342.1831 |
| Heavy Atoms | 25 |
| Complexity | 595.0 |
Chemical Identifiers
| CAS Number | 104331-86-4 |
|---|---|
| SMILES | CC(C)C1=C(C=C2C(=C1OC)CC[C@@H]3[C@@]2(CCC4=C3COC4=O)C)O |
| InChIKey | TYSYVCOVDLVELY-BTYIYWSLSA-N |
Product Overview
Isoneotriptophenolide (CAS 104331-86-4), with molecular formula C21H26O4 and molecular weight 342.18 g/mol. IUPAC: (3bR,9bS)-8-hydroxy-6-methoxy-9b-methyl-7-propan-2-yl-3,3b,4,5,10,11-hexahydronaphtho[2,1-e][2]benzofuran-1-one.
Chemical Property Profile of Isoneotriptophenolide
Property Insights of Isoneotriptophenolide
The XLogP value of 4.0 indicates that Isoneotriptophenolide is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. With a topological polar surface area (TPSA) of 55.8 Ų, Isoneotriptophenolide exhibits relatively low polarity, potentially indicating favorable cell membrane permeability. Following Lipinski's Rule of Five, Isoneotriptophenolide has 1 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
Frequently Asked Questions
What is the CAS number of Isoneotriptophenolide?
The CAS number of Isoneotriptophenolide is 104331-86-4.
What is the molecular formula of Isoneotriptophenolide?
The molecular formula of Isoneotriptophenolide is C21H26O4.
What is the molecular weight of Isoneotriptophenolide?
The molecular weight of Isoneotriptophenolide is 342.18 g/mol.
Where can I buy Isoneotriptophenolide?
You can request a quote for Isoneotriptophenolide directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Isoneotriptophenolide?
Yes, KEHONG BIO provides custom synthesis services for Isoneotriptophenolide and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.