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 | Shanghai | Inquiry |
514843-12-0 / 2,4-dichloro-5-propan-2-ylpyrimidine
Basic Information
CAS
514843-12-0
Multi CAS
No
Molecular Formula
C7H8CL2N2
Molecular Weight
191.050000
Exact Mass
190.006454
InChI
InChI=1S/C7H8Cl2N2/c1-4(2)5-3-10-7(9)11-6(5)8/h3-4H,1-2H3
InChIKey
WZJYQYUSMHGHAI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.43
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.14
TPSA
25.78
LogP / Solubility
WLOGP
2.91
MLOGP
2.56
XLogP3
3.3
Consensus LogP
2.92
Log S (ESOL)
-3.19
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.23
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.43
Class (SILICOS-IT)
Poorly 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)
-1.82
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
-
-
6-Ethyl-5-iodopyriMidine-2,4-diaMine
- CAS RN: 514854-13-8
- Product Code: starshine_CAS514854-13-8
- Purity/Analytical method: >99.0%
-
L-PHENYLGLYCINE METHYL ESTER HYDROCHLORIDE
- CAS RN: 515028-39-4
- Product Code: starshine_CAS515028-39-4
- Purity/Analytical method: >99.0%
-
4-[3-(4-IODOPHENYL)-2-(2,4-DINITROPHENYL)-2H-5-TETRAZOLIO]-1,3-BENZENE DISULFONATE
- CAS RN: 515111-36-1
- Product Code: SSC-158375
-
3-METHYL-4-(4,4,5,5-TETRAMETHYL-1,3,2-DIOXABOROLAN-2-YL)BENZOIC ACID
- CAS RN: 515131-35-8
- Product Code: SSC-158380
-
![CAS 515111-36-1 4-[3-(4-IODOPHENYL)-2-(2,4-DINITROPHENYL)-2H-5-TETRAZOLIO]-1,3-BENZENE DISULFONATE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/515111-36-1.gif)
