![CAS 192869-80-0 7-BENZYL-5,6,7,8-TETRAHYDRO4-CHLORO-PYRIDO[3,4-D]PYRIMIDINE HYDROCHLORIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/192869-80-0.gif)
CAS RN: 192869-80-0
7-BENZYL-5,6,7,8-TETRAHYDRO4-CHLORO-PYRIDO[3,4-D]PYRIMIDINE HYDROCHLORIDE
Product Availability
Choose a grade to view its available package options.
4 package records3 with current stock2 grade groups
- Product code: SSC-090203
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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Hong Kong | Inquiry |
192869-80-0 / 7-benzyl-4-chloro-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
Basic Information
CAS
192869-80-0
Multi CAS
No
Molecular Formula
C14H14ClN3
Molecular Weight
259.730000
Exact Mass
259.087625
SMILES
C1CN(CC2=C1C(=NC=N2)Cl)CC3=CC=CC=C3
InChI
InChI=1S/C14H14ClN3/c15-14-12-6-7-18(9-13(12)16-10-17-14)8-11-4-2-1-3-5-11/h1-5,10H,6-9H2
InChIKey
ZUDXEFPMOWJJQK-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
12
Fraction Csp3
0.29
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
71.3
TPSA
29.02
LogP / Solubility
WLOGP
2.69
MLOGP
2.37
XLogP3
2.6
Consensus LogP
2.55
Log S (ESOL)
-3.51
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.63
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.82
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.4
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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