Inophyllum B
TL;DR: Inophyllum B (CAS 41135-06-2) is a chemical compound with molecular formula C25H24O5 and molecular weight 404.16 g/mol, supplied by Kehong Biological (Henan Kehong Biological Technology Co., Ltd.) with CRO/CDMO custom synthesis services.
(16R,17S,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one
Also Known As: Inophyllum B, inophyllumB, (+)-Inophyllum B, hydroxy-tetramethyl-phenyl-[?]one, (10r,11s,12s)-12-hydroxy-6,6,10,11-tetramethyl-4-phenyl-11,12-dihydro-2h,6h,10h-dipyrano[2,3-f:2',3'-h]chromen-2-one
| Molecular Formula | C25H24O5 |
|---|---|
| Molecular Weight | 404.16 g/mol |
| LogP | 4.1 |
| Topological Polar Surface Area | 65.0 Ų |
| Hydrogen Bond Donors | 1 |
| Hydrogen Bond Acceptors | 5 |
| Rotatable Bonds | 1 |
| Exact Mass | 404.16238 |
| Heavy Atoms | 30 |
| Complexity | 749.0 |
Chemical Identifiers
| CAS Number | 41135-06-2 |
|---|---|
| SMILES | C[C@@H]1[C@H](OC2=C([C@H]1O)C3=C(C(=CC(=O)O3)C4=CC=CC=C4)C5=C2C=CC(O5)(C)C)C |
| InChIKey | BXENDTPSKAICGV-LKBUQDJMSA-N |
Patent-Derived Application Labels
Derived from 3 IPC patent classification(s) across the SureChEMBL global patent database.
Product Overview
Inophyllum B (CAS 41135-06-2), with molecular formula C25H24O5 and molecular weight 404.16 g/mol. IUPAC: (16R,17S,18S)-18-hydroxy-10,10,16,17-tetramethyl-6-phenyl-3,9,15-trioxatetracyclo[12.4.0.02,7.08,13]octadeca-1(14),2(7),5,8(13),11-pentaen-4-one.
Chemical Property Profile of Inophyllum B
Property Insights of Inophyllum B
The XLogP value of 4.1 indicates that Inophyllum B is lipophilic (fat-soluble), which may influence its absorption, distribution, and formulation strategy. The TPSA of 65.0 Ų falls within the moderate polarity range, balancing permeability and solubility for Inophyllum B. Following Lipinski's Rule of Five, Inophyllum B has 1 hydrogen bond donor(s) and 5 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 Inophyllum B?
The CAS number of Inophyllum B is 41135-06-2.
What is the molecular formula of Inophyllum B?
The molecular formula of Inophyllum B is C25H24O5.
What is the molecular weight of Inophyllum B?
The molecular weight of Inophyllum B is 404.16 g/mol.
Where can I buy Inophyllum B?
You can request a quote for Inophyllum B directly from KEHONG BIO. Contact us or email info@kehongbio.com for pricing and availability.
Does KEHONG BIO offer custom synthesis for Inophyllum B?
Yes, KEHONG BIO provides custom synthesis services for Inophyllum B and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.