![CAS 946198-89-6 tert-butyl 4-chloro-5,6-dihydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine-7(8H)-carboxylate7(6H)-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/946198-89-6.gif)
CAS RN: 946198-89-6
tert-butyl 4-chloro-5,6-dihydropyrido[4′,3′:4,5]thieno[2,3-d]pyrimidine-7(8H)-carboxylate7(6H)-carboxylic acid
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.20260508 | 250mg / 1g / 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: SSC-209755
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 | Shenzhen | Inquiry |
946198-89-6 / tert-butyl 3-chloro-8-thia-4,6,11-triazatricyclo[7.4.0.02,7]trideca-1(9),2(7),3,5-tetraene-11-carboxylate
Basic Information
CAS
946198-89-6
Multi CAS
No
Molecular Formula
C14H16CLN3O2S
Molecular Weight
325.800000
Exact Mass
325.065176
InChI
InChI=1S/C14H16ClN3O2S/c1-14(2,3)20-13(19)18-5-4-8-9(6-18)21-12-10(8)11(15)16-7-17-12/h7H,4-6H2,1-3H3
InChIKey
GIBDUINSURSICA-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
21
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
2
H-bond acceptors
5
Molar refractivity
82.77
TPSA
55.32
LogP / Solubility
WLOGP
3.64
MLOGP
3.22
XLogP3
3.3
Consensus LogP
3.39
Log S (ESOL)
-4.47
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.86
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.8
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2.5
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