![CAS 1421687-46-8 7-Boc-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1421687-46-8.gif)
CAS RN: 1421687-46-8
7-Boc-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
- Product code: SSC-052931
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 | Beijing | Inquiry |
1421687-46-8 / tert-butyl 4-methoxy-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine-7-carboxylate
Basic Information
CAS
1421687-46-8
Multi CAS
No
Molecular Formula
C13H19N3O3
Molecular Weight
265.310000
Exact Mass
265.142641
SMILES
CC(C)(C)OC(=O)N1CCC2=C(C1)N=CN=C2OC
InChI
InChI=1S/C13H19N3O3/c1-13(2,3)19-12(17)16-6-5-9-10(7-16)14-8-15-11(9)18-4/h8H,5-7H2,1-4H3
InChIKey
SZTXLKWOCZTASN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
6
Fraction Csp3
0.62
Rotatable bonds
1
H-bond acceptors
5
Molar refractivity
68.93
TPSA
64.55
LogP / Solubility
WLOGP
1.78
MLOGP
1.57
XLogP3
1.3
Consensus LogP
1.55
Log S (ESOL)
-2.77
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.02
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-2.98
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-3.08
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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