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: ＞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 |
|---|---|---|---|---|
| 5g | ＞95% | 0 Out of Stock | Hong Kong | Inquiry |
500912-13-0 / (3-fluoro-2-methylphenyl)methanol
Basic Information
CAS
500912-13-0
Multi CAS
No
Molecular Formula
C8FH9O
Molecular Weight
140.150000
Exact Mass
140.063743
InChI
InChI=1S/C8H9FO/c1-6-7(5-10)3-2-4-8(6)9/h2-4,10H,5H2,1H3
InChIKey
GZMJGSWNFDZTNZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
37.06
TPSA
20.23
LogP / Solubility
WLOGP
1.63
MLOGP
1.42
XLogP3
1.5
Consensus LogP
1.52
Log S (ESOL)
-2.11
Class (ESOL)
Moderately soluble
Log S (Ali)
-1.88
Class (Ali)
Soluble
Log S (SILICOS-IT)
-2.04
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.42
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
Benzeneacetonitrile, 3-fluoro-2-methyl- (9CI)
- CAS RN: 500912-15-2
- Product Code: SSC-156465
-
-
-
-
-
Tat-NR2B9c
- CAS RN: 500992-11-0
- Product Code: starshine_CAS500992-11-0
- Purity/Analytical method: >99.0%
