![CAS 1233932-38-1 6-benzyl-2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1233932-38-1.gif)
CAS RN: 1233932-38-1
6-benzyl-2-chloro-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
- Product code: SSC-027082
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 |
1233932-38-1 / 6-benzyl-2-chloro-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
Basic Information
CAS
1233932-38-1
Multi CAS
No
Molecular Formula
C14H14ClN3
Molecular Weight
259.730000
Exact Mass
259.087625
SMILES
C1CN(CC2=CN=C(N=C21)Cl)CC3=CC=CC=C3
InChI
InChI=1S/C14H14ClN3/c15-14-16-8-12-10-18(7-6-13(12)17-14)9-11-4-2-1-3-5-11/h1-5,8H,6-7,9-10H2
InChIKey
NHZIJAASRJIDFC-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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![CAS 1233937-25-1 5,6,7,8-tetradeuterio-2-[(2E,6E,10E)-3,7,11,15-tetramethylhexadeca-2,6,10,14-tetraenyl]-3-(trideuteriomethyl)naphthalene-1,4-dione molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1233937-25-1.gif)
