CAS RN: 1260859-29-7
Ethyl 8-bromo-4-chloroquinazoline-2-carboxylate
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250903 | 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-032251
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 |
1260859-29-7 / ethyl 8-bromo-4-chloroquinazoline-2-carboxylate
Basic Information
CAS
1260859-29-7
Multi CAS
No
Molecular Formula
C11H8BrClN2O2
Molecular Weight
315.550000
Exact Mass
313.945770
SMILES
CCOC(=O)C1=NC2=C(C=CC=C2Br)C(=N1)Cl
InChI
InChI=1S/C11H8BrClN2O2/c1-2-17-11(16)10-14-8-6(9(13)15-10)4-3-5-7(8)12/h3-5H,2H2,1H3
InChIKey
HBDJDYCUMMGJPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
10
Fraction Csp3
0.18
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
68.2
TPSA
52.08
LogP / Solubility
WLOGP
3.22
MLOGP
2.85
XLogP3
3.7
Consensus LogP
3.26
Log S (ESOL)
-4.13
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.47
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.63
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.36
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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