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: 5g
- Available purity: ≥99%
- 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 |
|---|---|---|---|---|
| 5g | ≥99% | 0 Out of Stock | Shanghai | Inquiry |
3127-14-8 / 4,4,4',4'-tetramethyl-2,2'-spirobi[3H-chromene]-7,7'-diol
Basic Information
CAS
3127-14-8
Multi CAS
No
Molecular Formula
C21H24O4
Molecular Weight
340.400000
Exact Mass
340.167459
InChI
InChI=1S/C21H24O4/c1-19(2)11-21(24-17-9-13(22)5-7-15(17)19)12-20(3,4)16-8-6-14(23)10-18(16)25-21/h5-10,22-23H,11-12H2,1-4H3
InChIKey
BWQOXWHQZXVXSD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
12
Fraction Csp3
0.43
H-bond acceptors
4
H-bond donors
2
Molar refractivity
95.49
TPSA
58.92
LogP / Solubility
WLOGP
4.61
MLOGP
4.08
XLogP3
5.4
Consensus LogP
4.7
Log S (ESOL)
-5.21
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.68
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.7
Class (SILICOS-IT)
Slightly soluble
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
No
Log Kp (skin permeation)
-1.52
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
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