CAS RN: 57704-16-2
1′-Hydroxybufuralol
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20260312 | 1mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS57704-16-2
- Purity/Analytical Methods: >99.0%
57704-16-2 / 2-(tert-butylamino)-1-[7-(1-hydroxyethyl)-1-benzofuran-2-yl]ethanol
Basic Information
CAS
57704-16-2
Multi CAS
Yes
Molecular Formula
C16H23NO3
Molecular Weight
277.360000
Exact Mass
277.167794
InChI
InChI=1S/C16H23NO3/c1-10(18)12-7-5-6-11-8-14(20-15(11)12)13(19)9-17-16(2,3)4/h5-8,10,13,17-19H,9H2,1-4H3
InChIKey
GTYMTYBCXVOBBB-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
20
Aromatic heavy atom count
9
Fraction Csp3
0.5
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
3
Molar refractivity
79.56
TPSA
65.63
LogP / Solubility
WLOGP
2.91
MLOGP
2.57
XLogP3
2.2
Consensus LogP
2.56
Log S (ESOL)
-3.46
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.93
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.36
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
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.35
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
2.5
Customers Also Viewed
-
-
-
2H-Indazole,2-(1-methylethyl)-(9CI)
- CAS RN: 57707-13-8
- Product Code: starshine_CAS57707-13-8
- Purity/Analytical method: >99.0%
-
-
4-(4-chlorophenyl)-2-phenyl-1(2H)-phthalazinone
- CAS RN: 57709-77-0
- Product Code: starshine_CAS57709-77-0
- Purity/Analytical method: >99.0%
-
(3aR,6aS)-rel-Hexahydro-1H-furo[3,4-c]pyrrole hydrochloride
- CAS RN: 57710-36-8
- Product Code: SSC-165906
![CAS 57710-36-8 (3aR,6aS)-rel-Hexahydro-1H-furo[3,4-c]pyrrole hydrochloride molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/57710-36-8.gif)