CAS RN: 1005009-91-5
4-Chloro-6-(6-methoxy-3-pyridyl)quinazoline
- Product code: SSC-001084
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 |
1005009-91-5 / 4-chloro-6-(6-methoxy-3-pyridinyl)quinazoline
4-Chloro-6-(6-methoxy-3-pyridyl)quinazoline | 4-chloro-6-(6-methoxypyridin-3-yl)quinazoline | 4-chloro-6-(6-methoxy-pyridin-3-yl)-quinazoline
Basic Information
CAS
1005009-91-5
Multi CAS
No
Molecular Formula
C14H10ClN3O
Molecular Weight
271.700000
Exact Mass
271.051240
SMILES
COC1=NC=C(C=C1)C2=CC3=C(C=C2)N=CN=C3Cl
InChI
InChI=1S/C14H10ClN3O/c1-19-13-5-3-10(7-16-13)9-2-4-12-11(6-9)14(15)18-8-17-12/h2-8H,1H3
InChIKey
RVYSFZDKNPYACU-UHFFFAOYSA-N
Synonyms
4-Chloro-6-(6-methoxy-3-pyridyl)quinazoline
4-chloro-6-(6-methoxypyridin-3-yl)quinazoline
4-chloro-6-(6-methoxy-pyridin-3-yl)-quinazoline
MFCD20482360
SCHEMBL182746
Computed Properties
Structural Parameters
Heavy atom count
19
Aromatic heavy atom count
16
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
74.33
TPSA
47.9
LogP / Solubility
WLOGP
3.35
MLOGP
2.96
XLogP3
3.4
Consensus LogP
3.24
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.21
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2
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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