![CAS 847560-46-7 ethyl 2-amino-4-chlorothieno[2,3-d]pyrimidine-6-carboxylate molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/847560-46-7.gif)
CAS RN: 847560-46-7
ethyl 2-amino-4-chlorothieno[2,3-d]pyrimidine-6-carboxylate
- Product code: SSC-192328
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 |
847560-46-7 / ethyl 2-amino-4-chlorothieno[2,3-d]pyrimidine-6-carboxylate
Basic Information
CAS
847560-46-7
Multi CAS
No
Molecular Formula
C9H8CLN3O2S
Molecular Weight
257.700000
Exact Mass
257.002575
InChI
InChI=1S/C9H8ClN3O2S/c1-2-15-8(14)5-3-4-6(10)12-9(11)13-7(4)16-5/h3H,2H2,1H3,(H2,11,12,13)
InChIKey
RVSQDXBPGDMBIQ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Aromatic heavy atom count
9
Fraction Csp3
0.22
Rotatable bonds
2
H-bond acceptors
6
H-bond donors
1
Molar refractivity
62.79
TPSA
78.1
LogP / Solubility
WLOGP
2.1
MLOGP
1.86
XLogP3
2.7
Consensus LogP
2.22
Log S (ESOL)
-3.05
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.19
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.32
Class (SILICOS-IT)
Poorly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.8
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
4-methyl-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)benzaldehyde
- CAS RN: 847560-50-3
- Product Code: SSC-192330
-
-
tert-butyl 4-(trifluoromethyl)-4-((trimethylsilyl)oxy)piperidine-1-carboxylate
- CAS RN: 847591-35-9
- Product Code: starshine_CAS847591-35-9
- Purity/Analytical method: >99.0%
-
ICG-001
- CAS RN: 847591-62-2
- Product Code: starshine_CAS847591-62-2
- Purity/Analytical method: >99.0%
-
Butanedioic acid, 2,3-bis[(4-chlorobenzoyl)oxy]-, (2S,3S)-
- CAS RN: 847603-66-1
- Product Code: starshine_CAS847603-66-1
- Purity/Analytical method: >99.0%
![CAS 847603-66-1 Butanedioic acid, 2,3-bis[(4-chlorobenzoyl)oxy]-, (2S,3S)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/847603-66-1.gif)