CAS RN: 415679-40-2
Benzenemethanol, 2,4-dichloro-α-methyl-, (αR)-
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.20251221 | 1g | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS415679-40-2
- Purity/Analytical Methods: >99.0%
415679-40-2 / 1-(2,4-dichlorophenyl)ethanol
Basic Information
CAS
415679-40-2
Multi CAS
Yes
Molecular Formula
C8H8CL2O
Molecular Weight
191.050000
Exact Mass
189.995220
InChI
InChI=1S/C8H8Cl2O/c1-5(11)7-3-2-6(9)4-8(7)10/h2-5,11H,1H3
InChIKey
KWZDYNBHZMQRLS-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Fraction Csp3
0.25
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
47.1
TPSA
20.23
LogP / Solubility
WLOGP
3.05
MLOGP
2.68
XLogP3
2.7
Consensus LogP
2.81
Log S (ESOL)
-3.28
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.33
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.55
Class (SILICOS-IT)
Poorly 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)
-1.72
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
![CAS 415684-05-8 Carbamic acid, [(2S)-3-chloro-2-hydroxypropyl]-, 1,1-dimethylethyl ester (9CI) molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
Carbamic acid, [(2S)-3-chloro-2-hydroxypropyl]-, 1,1-dimethylethyl ester (9CI)
- CAS RN: 415684-05-8
- Product Code: SSC-149969
-
N,N’-(1,3-Phenylenebis(methylene))bis(furan-2-carboxamide)
- CAS RN: 415694-42-7
- Product Code: starshine_CAS415694-42-7
- Purity/Analytical method: >99.0%
-
2-[[4-[(4-NITROPHENYL)METHOXY]PHENYL]METHYL]-4-THIAZOLIDINECARBOXYLIC ACID ETHYL ESTER
- CAS RN: 415697-08-4
- Product Code: starshine_CAS415697-08-4
- Purity/Analytical method: >99.0%
-
2-bromo-N-(4,5-dimethylisoxazol-3-yl)-N-(methoxymethyl)benzenesulfonamide
- CAS RN: 415697-57-3
- Product Code: SSC-149972
-
(2-(N-(4,5-dimethylisoxazol-3-yl)-N-(methoxymethyl)sulfamoyl)phenyl)boronic acid
- CAS RN: 415697-58-4
- Product Code: SSC-149973
-
![CAS 415684-05-8 Carbamic acid, [(2S)-3-chloro-2-hydroxypropyl]-, 1,1-dimethylethyl ester (9CI) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/415684-05-8.gif)
![CAS 415697-08-4 2-[[4-[(4-NITROPHENYL)METHOXY]PHENYL]METHYL]-4-THIAZOLIDINECARBOXYLIC ACID ETHYL ESTER molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/415697-08-4.gif)
