CAS RN: 126495-44-1
1-(2-bromophenyl)-2-methylpropan-2-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.20260303 | 1g | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS126495-44-1
- Purity/Analytical Methods: >99.0%
126495-44-1 / 1-(2-bromophenyl)-2-methylpropan-2-ol
Basic Information
CAS
126495-44-1
Multi CAS
No
Molecular Formula
C10H13BrO
Molecular Weight
229.110000
Exact Mass
228.014980
SMILES
CC(C)(CC1=CC=CC=C1Br)O
InChI
InChI=1S/C10H13BrO/c1-10(2,12)7-8-5-3-4-6-9(8)11/h3-6,12H,7H2,1-2H3
InChIKey
UXQJCRYQCNOUMH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
12
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
1
H-bond donors
1
Molar refractivity
54.14
TPSA
20.23
LogP / Solubility
WLOGP
2.76
MLOGP
2.43
XLogP3
2.8
Consensus LogP
2.66
Log S (ESOL)
-3.24
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.43
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.68
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)
-2.16
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
-
(S)-tert-butyl methyl aziridine-1,2-dicarboxylate
- CAS RN: 126496-79-5
- Product Code: SSC-033574
-
N-[(Phenylmethoxy)carbonyl]-D-tryptophan phenylmethyl ester
- CAS RN: 126496-81-9
- Product Code: SSC-033575
-
1-(2,2,2-TRIFLUOROACETYL)-4-PIPERIDINECARBOXYLIC ACID
- CAS RN: 126501-70-0
- Product Code: SSC-033578
-
1-Piperidinecarboxylic acid, 2-methyl-, 1,1-dimethylethyl ester
- CAS RN: 126503-04-6
- Product Code: starshine_CAS126503-04-6
- Purity/Analytical method: >99.0%
-
-
Pyrimidine, 5-(chloromethyl)-2-methyl- (9CI)
- CAS RN: 126504-86-7
- Product Code: SSC-033580
![CAS 126496-81-9 N-[(Phenylmethoxy)carbonyl]-D-tryptophan phenylmethyl ester molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/126496-81-9.gif)
