Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g
- Available purity: >95%
- Inventory rows with stock: 3
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 0.1g | -- | 1 In Stock | Shanghai | Inquiry |
| 0.1g | >95% | 1 In Stock | Shenzhen | Inquiry |
| 0.25g | >95% | 1 In Stock | Shanghai | Inquiry |
| 0.25g | -- | 0 Out of Stock | Shanghai | Inquiry |
| 1g | -- | 0 Out of Stock | Shenzhen | Inquiry |
| 1g | >95% | 0 Out of Stock | Shenzhen | Inquiry |
1260682-15-2 / (2,4,6-trichloropyrimidin-5-yl)methanol
Basic Information
CAS
1260682-15-2
Multi CAS
No
Molecular Formula
C5H3Cl3N2O
Molecular Weight
213.440000
Exact Mass
211.931096
SMILES
C(C1=C(N=C(N=C1Cl)Cl)Cl)O
InChI
InChI=1S/C5H3Cl3N2O/c6-3-2(1-11)4(7)10-5(8)9-3/h11H,1H2
InChIKey
FBNRIAWXHJFJAS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.2
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
42.98
TPSA
46.01
LogP / Solubility
WLOGP
1.93
MLOGP
1.7
XLogP3
2.2
Consensus LogP
1.94
Log S (ESOL)
-2.72
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.7
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.77
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)
-2.65
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
3,6-Bis(5-broMothiophen-2-yl)-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione
- CAS RN: 1260685-63-9
- Product Code: starshine_CAS1260685-63-9
- Purity/Analytical method: >99.0%
-
1-[4-(Trifluoromethyl)phenyl]pyrazole-4-carboxylic Acid
- CAS RN: 1260740-53-1
- Product Code: SSC-031930
-
1-(2,6-Difluorophenyl)cyclobutane-1-carbonitrile
- CAS RN: 1260741-00-1
- Product Code: SSC-031932
-
-
![CAS 1260685-63-9 3,6-Bis(5-broMothiophen-2-yl)-2,5-bis(2-octyldodecyl)pyrrolo[3,4-c]pyrrole-1,4(2H,5H)-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1260685-63-9.gif)
![CAS 1260740-53-1 1-[4-(Trifluoromethyl)phenyl]pyrazole-4-carboxylic Acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1260740-53-1.gif)
