CAS RN: 74973-61-8
1(3H)-Isobenzofuranone, 6-(2-hydroxyethyl)-5,7-dimethyl-
- Product code: SSC-184436
Verified Factory Data
Supply Overview & Packaging Options
Packaging options, recorded purity, stock quantity and ship-from location below are generated from the current factory data table for this CAS.
- Pack sizes on record: 0.1g, 0.25g, 1g, 5g
- Available purity: ≥95%
- Inventory rows with stock: 4
- Bulk packaging: confirmed by inquiry
Available Pack Sizes & Stock
Specific stock quantities are shown below. Price is not displayed online and is confirmed by inquiry.
74973-61-8 / 6-(2-hydroxyethyl)-5,7-dimethyl-3H-2-benzofuran-1-one
Basic Information
CAS
74973-61-8
Multi CAS
No
Molecular Formula
C12H14O3
Molecular Weight
206.240000
Exact Mass
206.094294
InChI
InChI=1S/C12H14O3/c1-7-5-9-6-15-12(14)11(9)8(2)10(7)3-4-13/h5,13H,3-4,6H2,1-2H3
InChIKey
HBPMCWYUOMPOKT-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.42
Rotatable bonds
2
H-bond acceptors
3
H-bond donors
1
Molar refractivity
55.83
TPSA
46.53
LogP / Solubility
WLOGP
1.51
MLOGP
1.33
XLogP3
1.7
Consensus LogP
1.51
Log S (ESOL)
-2.23
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.34
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.49
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.91
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 74974-14-4 (R)-(+)-2,2′-BIS[(DIPHENYLPHOSPHINO)AMINO]-1,1′-BINAPHTHYL molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
(R)-(+)-2,2′-BIS[(DIPHENYLPHOSPHINO)AMINO]-1,1′-BINAPHTHYL
- CAS RN: 74974-14-4
- Product Code: SSC-184437
-
(S)-(-)-2,2′-BIS[(DIPHENYLPHOSPHINO)AMINO]-1,1′-BINAPHTHYL
- CAS RN: 74974-15-5
- Product Code: SSC-184438
-
-
-
-
![CAS 74974-14-4 (R)-(+)-2,2′-BIS[(DIPHENYLPHOSPHINO)AMINO]-1,1′-BINAPHTHYL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/74974-14-4.gif)
![CAS 74974-15-5 (S)-(-)-2,2′-BIS[(DIPHENYLPHOSPHINO)AMINO]-1,1′-BINAPHTHYL molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/74974-15-5.gif)
