![CAS 1122660-25-6 4-[5-(3-Hydroxyphenyl)-2-thienyl]-2-methylphenol molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1122660-25-6.gif)
CAS RN: 1122660-25-6
4-[5-(3-Hydroxyphenyl)-2-thienyl]-2-methylphenol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260219 | 100mg | Out of stock | Inquiry |
- Product code: SSC-012724
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: 0.1g, 0.25g, 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.
1122660-25-6 / 4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-methylphenol
4-(5-(3-Hydroxyphenyl)thiophen-2-yl)-2-methylphenol | 4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-methylphenol | 3-(5-(4-hydroxy-3-methylphenyl)thiophen-2-yl)phenol
Basic Information
CAS
1122660-25-6
Multi CAS
No
Molecular Formula
C17H14O2S
Molecular Weight
282.400000
Exact Mass
282.071451
SMILES
CC1=C(C=CC(=C1)C2=CC=C(S2)C3=CC(=CC=C3)O)O
InChI
InChI=1S/C17H14O2S/c1-11-9-13(5-6-15(11)19)17-8-7-16(20-17)12-3-2-4-14(18)10-12/h2-10,18-19H,1H3
InChIKey
ICDRVGLMFQWTDX-UHFFFAOYSA-N
Synonyms
4-(5-(3-Hydroxyphenyl)thiophen-2-yl)-2-methylphenol
4-[5-(3-hydroxyphenyl)thiophen-2-yl]-2-methylphenol
3-(5-(4-hydroxy-3-methylphenyl)thiophen-2-yl)phenol
MFCD26406221
HSD17B13-IN-41
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
17
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
2
Molar refractivity
83.26
TPSA
40.46
LogP / Solubility
WLOGP
4.8
MLOGP
4.24
XLogP3
4.6
Consensus LogP
4.55
Log S (ESOL)
-5.11
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.34
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.72
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.03
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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