![CAS 1799610-89-1 5-bromo-4-chloro-6-iodothieno[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1799610-89-1.gif)
CAS RN: 1799610-89-1
5-bromo-4-chloro-6-iodothieno[2,3-d]pyrimidine
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.20250531 | 100mg / 250mg / 1g / 5g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-080305
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 | Hong Kong | Inquiry |
1799610-89-1 / 5-bromo-4-chloro-6-iodothieno[2,3-d]pyrimidine
Basic Information
CAS
1799610-89-1
Multi CAS
No
Molecular Formula
C6HBrClIN2S
Molecular Weight
375.410000
Exact Mass
373.777710
SMILES
C1=NC2=C(C(=C(S2)I)Br)C(=N1)Cl
InChI
InChI=1S/C6HBrClIN2S/c7-3-2-4(8)10-1-11-6(2)12-5(3)9/h1H
InChIKey
KCAXSMPKSVVSEU-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
H-bond acceptors
3
Molar refractivity
62.84
TPSA
25.78
LogP / Solubility
WLOGP
3.71
MLOGP
3.29
XLogP3
3.9
Consensus LogP
3.63
Log S (ESOL)
-5.06
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.18
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.37
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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