![CAS 1679330-18-7 (E)-3-(dimethylamino)-1-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-c]pyridin-3-yl)prop-2-en-1-one(WXC04764) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1679330-18-7.gif)
CAS RN: 1679330-18-7
(E)-3-(dimethylamino)-1-(1-(phenylsulfonyl)-1H-pyrrolo[2,3-c]pyridin-3-yl)prop-2-en-1-one(WXC04764)
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.20251101 | 100mg / 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-073238
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 |
1679330-18-7 / (E)-1-[1-(benzenesulfonyl)pyrrolo[2,3-c]pyridin-3-yl]-3-(dimethylamino)prop-2-en-1-one
Basic Information
CAS
1679330-18-7
Multi CAS
No
Molecular Formula
C18H17N3O3S
Molecular Weight
355.400000
Exact Mass
355.099063
SMILES
CN(C)/C=C/C(=O)C1=CN(C2=C1C=CN=C2)S(=O)(=O)C3=CC=CC=C3
InChI
InChI=1S/C18H17N3O3S/c1-20(2)11-9-18(22)16-13-21(17-12-19-10-8-15(16)17)25(23,24)14-6-4-3-5-7-14/h3-13H,1-2H3/b11-9+
InChIKey
HAMARJLNHWBALT-PKNBQFBNSA-N
Computed Properties
Structural Parameters
Heavy atom count
25
Aromatic heavy atom count
15
Fraction Csp3
0.11
Rotatable bonds
5
H-bond acceptors
6
Molar refractivity
95.92
TPSA
72.27
LogP / Solubility
WLOGP
2.53
MLOGP
2.25
XLogP3
2.2
Consensus LogP
2.33
Log S (ESOL)
-3.75
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.3
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.67
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
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.09
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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