![CAS 494850-27-0 2-{2-methyl-5-[4-(methylsulfanyl)phenyl]-1H-pyrrol-1-yl}ethan-1-ol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/494850-27-0.gif)
CAS RN: 494850-27-0
2-{2-methyl-5-[4-(methylsulfanyl)phenyl]-1H-pyrrol-1-yl}ethan-1-ol
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.20250111 | 1g / 5g / 10g | Out of stock | 5-7 business days | Inquiry |
- Product code: SSC-155719
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 | Hong Kong | Inquiry |
494850-27-0 / 2-[2-methyl-5-(4-methylsulfanylphenyl)pyrrol-1-yl]ethanol
Basic Information
CAS
494850-27-0
Multi CAS
No
Molecular Formula
C14H17NOS
Molecular Weight
247.360000
Exact Mass
247.103085
InChI
InChI=1S/C14H17NOS/c1-11-3-8-14(15(11)9-10-16)12-4-6-13(17-2)7-5-12/h3-8,16H,9-10H2,1-2H3
InChIKey
XTRVBZXDBRHCBI-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
11
Fraction Csp3
0.29
Rotatable bonds
4
H-bond acceptors
3
H-bond donors
1
Molar refractivity
73.47
TPSA
25.16
LogP / Solubility
WLOGP
3.18
MLOGP
2.8
XLogP3
2.5
Consensus LogP
2.83
Log S (ESOL)
-3.59
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.88
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.39
Class (SILICOS-IT)
Slightly 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)
-1.97
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
PAINS alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
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![CAS 495078-29-0 N-[1-(AMINOMETHYL)CYCLOHEPTYL]-N,N-DIMETHYLAMINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/495078-29-0.gif)
