![CAS 876343-10-1 4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/876343-10-1.gif)
CAS RN: 876343-10-1
4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine
- Product code: SSC-197804
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 1g, 5g, 0.25g, 25g, 10g, 100g
- Available purity: >95%
- Inventory rows with stock: 6
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | >95% | 5 In Stock | Shenzhen | Inquiry |
| 5g | >95% | 5 In Stock | Shanghai | Inquiry |
| 0.25g | >95% | 3 In Stock | Shanghai | Inquiry |
| 25g | >95% | 3 In Stock | Beijing | Inquiry |
| 10g | >95% | 2 In Stock | Shenzhen | Inquiry |
| 100g | >95% | 2 In Stock | Shanghai | Inquiry |
876343-10-1 / 4-chloro-6-iodo-7H-pyrrolo[2,3-d]pyrimidine
Basic Information
CAS
876343-10-1
Multi CAS
No
Molecular Formula
C7H3LiN3
Molecular Weight
279.460000
Exact Mass
278.906020
InChI
InChI=1S/C6H3ClIN3/c7-5-3-1-4(8)11-6(3)10-2-9-5/h1-2H,(H,9,10,11)
InChIKey
DXPVKZYVQANEDW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
9
H-bond acceptors
2
H-bond donors
1
Molar refractivity
51.62
TPSA
41.57
LogP / Solubility
WLOGP
2.22
MLOGP
1.96
XLogP3
2.3
Consensus LogP
2.16
Log S (ESOL)
-3.57
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.45
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
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.85
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
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