![CAS 833481-37-1 4-CHLORO-5-IODO-7-METHYL-7H-PYRROLO[2,3-D]PYRIMIDINE molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/833481-37-1.png)
CAS RN: 833481-37-1
4-CHLORO-5-IODO-7-METHYL-7H-PYRROLO[2,3-D]PYRIMIDINE
- Product code: SSC-191222
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: ≥98%
- 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 | ≥98% | 0 Out of Stock | Shenzhen | Inquiry |
833481-37-1 / 4-chloro-5-iodo-7-methylpyrrolo[2,3-d]pyrimidine
Basic Information
CAS
833481-37-1
Multi CAS
No
Molecular Formula
C8H5LiN3
Molecular Weight
293.490000
Exact Mass
292.921670
InChI
InChI=1S/C7H5ClIN3/c1-12-2-4(9)5-6(8)10-3-11-7(5)12/h2-3H,1H3
InChIKey
CCVSDXKTRGSGEN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
9
Fraction Csp3
0.14
H-bond acceptors
3
Molar refractivity
56.24
TPSA
30.71
LogP / Solubility
WLOGP
2.23
MLOGP
1.97
XLogP3
2.2
Consensus LogP
2.13
Log S (ESOL)
-3.62
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.57
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.42
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)
-2.93
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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