![CAS 945256-30-4 1H-Pyrrolo[2,3-b]pyridine, 3-iodo-5-Methoxy-1-[(4-Methylphenyl)sulfonyl]- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/945256-30-4.gif)
CAS RN: 945256-30-4
1H-Pyrrolo[2,3-b]pyridine, 3-iodo-5-Methoxy-1-[(4-Methylphenyl)sulfonyl]-
- Product code: SSC-209583
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 | Shenzhen | Inquiry |
945256-30-4 / 3-iodo-5-methoxy-1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridine
Basic Information
CAS
945256-30-4
Multi CAS
No
Molecular Formula
C15H13In2O3S
Molecular Weight
428.200000
Exact Mass
427.969160
InChI
InChI=1S/C15H13IN2O3S/c1-10-3-5-12(6-4-10)22(19,20)18-9-14(16)13-7-11(21-2)8-17-15(13)18/h3-9H,1-2H3
InChIKey
KERLBPDHIGHFCM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
22
Aromatic heavy atom count
15
Fraction Csp3
0.13
Rotatable bonds
3
H-bond acceptors
5
Molar refractivity
92.76
TPSA
61.19
LogP / Solubility
WLOGP
3.19
MLOGP
2.84
XLogP3
3.5
Consensus LogP
3.18
Log S (ESOL)
-4.81
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.38
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.46
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
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.06
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2.5
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![CAS 945262-32-8 3-CYCLOPROPYL-5,6,7,8-TETRAHYDRO-[1,2,4]TRIAZOLO[4,3-A]PYRAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/945262-32-8.gif)
