CAS RN: 914802-11-2
4-BENZYLOXYMETHYL-6-CHLORO-PYRIMIDINE
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250715 | 100mg / 250mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS914802-11-2
- Purity/Analytical Methods: >99.0%
914802-11-2 / 4-chloro-6-(phenylmethoxymethyl)pyrimidine
Basic Information
CAS
914802-11-2
Multi CAS
No
Molecular Formula
C12H11CLN2O
Molecular Weight
234.680000
Exact Mass
234.055991
InChI
InChI=1S/C12H11ClN2O/c13-12-6-11(14-9-15-12)8-16-7-10-4-2-1-3-5-10/h1-6,9H,7-8H2
InChIKey
NUKBJRZXHSFACD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
12
Fraction Csp3
0.17
Rotatable bonds
4
H-bond acceptors
3
Molar refractivity
61.98
TPSA
35.01
LogP / Solubility
WLOGP
2.85
MLOGP
2.51
XLogP3
2.3
Consensus LogP
2.55
Log S (ESOL)
-3.38
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.54
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.03
Class (SILICOS-IT)
Slightly 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)
-2.13
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
-
Shield-1
- CAS RN: 914805-33-7
- Product Code: starshine_CAS914805-33-7
- Purity/Analytical method: >99.0%
-
-
5-chloro-6-oxo-3,6-dihydropyriMidine-4-carboxylic acid
- CAS RN: 914916-96-4
- Product Code: SSC-204678
-
6-aMino-5-chloropyriMidine-4-carboxylic acid
- CAS RN: 914916-98-6
- Product Code: SSC-204679
-
1H-Indole-5-carbonitrile, 3-(4-hydroxybutyl)-
- CAS RN: 914927-40-5
- Product Code: starshine_CAS914927-40-5
- Purity/Analytical method: >99.0%
-
2,6 – Dichloro – N4 – Methylpyridine – 3,4 – diaMine
- CAS RN: 914942-86-2
- Product Code: SSC-204682
