This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
Pack sizes on record: 0.25g
Available purity: ≥95%
Inventory rows with stock: 0
Bulk packaging: confirmed by inquiry
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Recorded sizes, purity and stock details for CAS 224169-27-1
Pack Size
Recorded Purity
Available Qty
Ship From
Inquiry
0.25g
≥95%
0
Out of Stock
Shenzhen
Inquiry
224169-27-1 / [(1S,12S,14R)-9-methoxy-4-methyl-11-oxa-4-azatetracyclo[8.6.1.01,12.06,17]heptadeca-6(17),7,9,15-tetraen-14-yl] benzoate
Standard CAS: 224169-27-1
Multi CAS: No
Basic Information
copy
CAS
224169-27-1 copy
Multi CAS
No copy
Molecular Formula
C24H25NO4 copy
Molecular Weight
391.500000 copy
Exact Mass
391.178358 copy
SMILES
CN1CC[C@@]23C=C[C@@H](C[C@@H]2OC4=C(C=CC(=C34)C1)OC)OC(=O)C5=CC=CC=C5 copy
InChI
InChI=1S/C24H25NO4/c1-25-13-12-24-11-10-18(28-23(26)16-6-4-3-5-7-16)14-20(24)29-22-19(27-2)9-8-17(15-25)21(22)24/h3-11,18,20H,12-15H2,1-2H3/t18-,20-,24-/m0/s1 copy
InChIKey
JKVNJTYHRABHIY-WXVUKLJWSA-N copy
Computed Properties
copy
Structural Parameters
Heavy atom count
29 copy
Aromatic heavy atom count
12 copy
Fraction Csp3
0.38 copy
Rotatable bonds
3 copy
H-bond acceptors
5 copy
Molar refractivity
109.44 copy
TPSA
48 copy
LogP / Solubility
WLOGP
3.72 copy
MLOGP
3.29 copy
XLogP3
4.1 copy
Consensus LogP
3.7 copy
Log S (ESOL)
-4.72 copy
Class (ESOL)
Slightly soluble copy
Log S (Ali)
-5.45 copy
Class (Ali)
Slightly soluble copy
Log S (SILICOS-IT)
-5.65 copy
Class (SILICOS-IT)
Slightly soluble copy
ADME
GI absorption
High copy
BBB permeant
No copy
P-gp substrate
No copy
CYP1A2 inhibitor
Yes copy
CYP2C19 inhibitor
Yes copy
CYP2C9 inhibitor
Yes copy
CYP2D6 inhibitor
Yes copy
CYP3A4 inhibitor
Yes copy
Log Kp (skin permeation)
-2.47 copy
Drug-likeness / Medicinal Chemistry
Lipinski
Yes copy
Ghose
Yes copy
Veber
Yes copy
Egan
Yes copy
Muegge
Yes copy
Bioavailability score
0.55 copy
Brenk alerts
1 copy
Leadlikeness
No copy
Synthetic Accessibility
6 copy