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: 1g
- Available purity: ≥95%
- 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 |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Beijing | Inquiry |
7251-51-6 / 9,10-dimethylphenanthrene-9,10-diol
Basic Information
CAS
7251-51-6
Multi CAS
Yes
Molecular Formula
C16H16O2
Molecular Weight
240.300000
Exact Mass
240.115030
InChI
InChI=1S/C16H16O2/c1-15(17)13-9-5-3-7-11(13)12-8-4-6-10-14(12)16(15,2)18/h3-10,17-18H,1-2H3
InChIKey
PVSIBGSXKKPZNX-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.25
H-bond acceptors
2
H-bond donors
2
Molar refractivity
71.02
TPSA
40.46
LogP / Solubility
WLOGP
2.78
MLOGP
2.45
XLogP3
2
Consensus LogP
2.41
Log S (ESOL)
-3.58
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.53
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.21
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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5′-O-(4-METHYLPHENYLSULPHONYL)THYMIDINE
- CAS RN: 7253-19-2
- Product Code: starshine_CAS7253-19-2
- Purity/Analytical method: >99.0%
