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 | Shenzhen | Inquiry |
24193-00-8 / 4-hydroxy-2-morpholin-4-yl-1H-pyrimidin-6-one
Basic Information
CAS
24193-00-8
Multi CAS
No
Molecular Formula
C8H11N3O3
Molecular Weight
197.190000
Exact Mass
197.080041
SMILES
C1COCCN1C2=NC(=CC(=O)N2)O
InChI
InChI=1S/C8H11N3O3/c12-6-5-7(13)10-8(9-6)11-1-3-14-4-2-11/h5H,1-4H2,(H2,9,10,12,13)
InChIKey
XCHQPQVLYGBMFD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.5
Rotatable bonds
1
H-bond acceptors
5
H-bond donors
2
Molar refractivity
49.55
TPSA
78.45
LogP / Solubility
WLOGP
-0.69
MLOGP
-0.61
XLogP3
-1.2
Consensus LogP
-0.83
Log S (ESOL)
-0.88
Class (ESOL)
Very soluble
Log S (Ali)
-0.68
Class (Ali)
Very soluble
Log S (SILICOS-IT)
-0.49
Class (SILICOS-IT)
Very soluble
ADME
GI absorption
Low
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)
-4.41
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
-
-
-
-
-
-
2,4-Pyridinedicarboxylic acid, 2-Methyl ester
- CAS RN: 24195-10-6
- Product Code: SSC-118225
