Historical Factory Record
Historical Supply Reference
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: ＞97%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.25g | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
4430-15-3 / heptacyclo[18.7.0.02,10.03,8.011,19.012,17.021,26]heptacosa-1(20),2(10),3,5,7,11(19),12,14,16,21,23,25-dodecaene-9,18,27-trione
Basic Information
CAS
4430-15-3
Multi CAS
Yes
Molecular Formula
C27H12O3
Molecular Weight
384.400000
Exact Mass
384.078644
InChI
InChI=1S/C27H12O3/c28-25-16-10-4-1-7-13(16)19-22(25)20-15-9-3-6-12-18(15)27(30)24(20)21-14-8-2-5-11-17(14)26(29)23(19)21/h1-12H
InChIKey
HSMDIUMGCHZHNI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
30
Aromatic heavy atom count
27
H-bond acceptors
3
Molar refractivity
123.85
TPSA
51.21
LogP / Solubility
WLOGP
5
MLOGP
4.42
XLogP3
5.9
Consensus LogP
5.11
Log S (ESOL)
-6.04
Class (ESOL)
Insoluble
Log S (Ali)
-6.32
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.31
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.51
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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