![CAS 744209-64-1 1H-Pyrrolo[2,3-b]pyridine, 4-chloro-2-Methyl-1-(phenylsulfonyl)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/744209-64-1.gif)
CAS RN: 744209-64-1
1H-Pyrrolo[2,3-b]pyridine, 4-chloro-2-Methyl-1-(phenylsulfonyl)-
- Product code: SSC-183889
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 | Beijing | Inquiry |
744209-64-1 / 1-(benzenesulfonyl)-4-chloro-2-methylpyrrolo[2,3-b]pyridine
Basic Information
CAS
744209-64-1
Multi CAS
Yes
Molecular Formula
C14H11CLN2O2S
Molecular Weight
306.800000
Exact Mass
306.022977
InChI
InChI=1S/C14H11ClN2O2S/c1-10-9-12-13(15)7-8-16-14(12)17(10)20(18,19)11-5-3-2-4-6-11/h2-9H,1H3
InChIKey
UJAMAALRPFEDPW-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
15
Fraction Csp3
0.07
Rotatable bonds
2
H-bond acceptors
4
Molar refractivity
78.51
TPSA
51.96
LogP / Solubility
WLOGP
3.24
MLOGP
2.86
XLogP3
3.5
Consensus LogP
3.2
Log S (ESOL)
-4.2
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.41
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.58
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
No
Log Kp (skin permeation)
-2.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
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![CAS 744227-38-1 2-CHLORO-N-METHYL-N-(2-OXO-2-[[2-(TRIFLUOROMETHYL)PHENYL]AMINO]ETHYL)ACETAMIDE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB3372432.gif)
