CAS RN: 1036755-96-0
Methyl 2-chloroquinazolin…
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.20260327 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-005252
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: ＞97%
- 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 | ＞97% | 0 Out of Stock | Hong Kong | Inquiry |
1036755-96-0 / methyl 2-chloroquinazoline-6-carboxylate
METHYL 2-CHLOROQUINAZOLINE-6-CARBOXYLATE | MFCD17016011 | Methyl2-chloroquinazoline-6-carboxylate
Basic Information
CAS
1036755-96-0
Multi CAS
No
Molecular Formula
C10H7ClN2O2
Molecular Weight
222.630000
Exact Mass
222.019605
SMILES
COC(=O)C1=CC2=CN=C(N=C2C=C1)Cl
InChI
InChI=1S/C10H7ClN2O2/c1-15-9(14)6-2-3-8-7(4-6)5-12-10(11)13-8/h2-5H,1H3
InChIKey
NURBZIINUBTMRI-UHFFFAOYSA-N
Synonyms
METHYL 2-CHLOROQUINAZOLINE-6-CARBOXYLATE
MFCD17016011
Methyl2-chloroquinazoline-6-carboxylate
SCHEMBL3502450
SCHEMBL30159602
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
10
Fraction Csp3
0.1
Rotatable bonds
1
H-bond acceptors
4
Molar refractivity
55.89
TPSA
52.08
LogP / Solubility
WLOGP
2.07
MLOGP
1.82
XLogP3
2.4
Consensus LogP
2.1
Log S (ESOL)
-2.95
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.88
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.95
Class (SILICOS-IT)
Moderately 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)
-2.61
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
