![CAS 1417555-18-0 4-chloro-6-methoxy-Pyrido[3,2-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1417555-18-0.gif)
CAS RN: 1417555-18-0
4-chloro-6-methoxy-Pyrido[3,2-d]pyrimidine
- Product code: SSC-052384
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 | Shanghai | Inquiry |
1417555-18-0 / 4-chloro-6-methoxypyrido[3,2-d]pyrimidine
Basic Information
CAS
1417555-18-0
Multi CAS
No
Molecular Formula
C8H6ClN3O
Molecular Weight
195.600000
Exact Mass
195.019940
SMILES
COC1=NC2=C(C=C1)N=CN=C2Cl
InChI
InChI=1S/C8H6ClN3O/c1-13-6-3-2-5-7(12-6)8(9)11-4-10-5/h2-4H,1H3
InChIKey
KZGGUEWKRVNKIH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
10
Fraction Csp3
0.12
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
48.9
TPSA
47.9
LogP / Solubility
WLOGP
1.69
MLOGP
1.48
XLogP3
1.8
Consensus LogP
1.66
Log S (ESOL)
-2.62
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.38
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.45
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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