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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shanghai | Inquiry |
147663-04-5 / 3-[2-[4-(6-fluoro-1,2-benzoxazol-3-yl)piperidin-1-yl]ethyl]-7-hydroxy-2-methyl-6,7,8,9-tetrahydropyrido[1,2-a]pyrimidin-4-one
Basic Information
CAS
147663-04-5
Multi CAS
No
Molecular Formula
C23H27FN4O3
Molecular Weight
426.500000
Exact Mass
426.206719
SMILES
CC1=C(C(=O)N2CC(CCC2=N1)O)CCN3CCC(CC3)C4=NOC5=C4C=CC(=C5)F
InChI
InChI=1S/C23H27FN4O3/c1-14-18(23(30)28-13-17(29)3-5-21(28)25-14)8-11-27-9-6-15(7-10-27)22-19-4-2-16(24)12-20(19)31-26-22/h2,4,12,15,17,29H,3,5-11,13H2,1H3
InChIKey
ABWPQNZPAOAQSG-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
31
Aromatic heavy atom count
15
Fraction Csp3
0.52
Rotatable bonds
4
H-bond acceptors
7
H-bond donors
1
Molar refractivity
113.65
TPSA
84.39
LogP / Solubility
WLOGP
2.56
MLOGP
2.28
XLogP3
1.7
Consensus LogP
2.18
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.91
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.04
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.5
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4
Customers Also Viewed
-
Magnolianin
- CAS RN: 147663-91-0
- Product Code: starshine_CAS147663-91-0
- Purity/Analytical method: >99.0%
-
1,4-Dihydro-5-[5-broMoacetyl)-2-ethoxyphenyl]-1-Methyl-3-propyl-7H-pyrazolo[4,3-d]pyriMidin-7-one
- CAS RN: 147676-94-6
- Product Code: SSC-058218
-
5-(2-Ethoxy-5-nitrophenyl)-1,6-dihydro-1-Methyl-3-propyl-7H-pyrazolo[4,3-d]pyriMidin-7-one
- CAS RN: 147676-99-1
- Product Code: SSC-058219
-
Benzenesulfonyl chloride, 4-hydroxy-3-nitro- (9CI)
- CAS RN: 147682-51-7
- Product Code: SSC-058229
-
(9H-Fluoren-9-yl)methyl methyl(2-oxoethyl)carbamate
- CAS RN: 147687-06-7
- Product Code: SSC-058230
-
(9H-fluoren-9-yl)methyl 2-hydroxyethyl(methyl)carbamate
- CAS RN: 147687-15-8
- Product Code: SSC-058231
![CAS 147676-94-6 1,4-Dihydro-5-[5-broMoacetyl)-2-ethoxyphenyl]-1-Methyl-3-propyl-7H-pyrazolo[4,3-d]pyriMidin-7-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/147676-94-6.gif)
![CAS 147676-99-1 5-(2-Ethoxy-5-nitrophenyl)-1,6-dihydro-1-Methyl-3-propyl-7H-pyrazolo[4,3-d]pyriMidin-7-one molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/147676-99-1.gif)
