CAS RN: 1094272-74-8
Benzene, 1-(1-bromoethyl)-2-(difluoromethoxy)-
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.20251123 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1094272-74-8
- Purity/Analytical Methods: >99.0%
1094272-74-8 / 1-(1-bromoethyl)-2-(difluoromethoxy)benzene
1-(1-bromoethyl)-2-(difluoromethoxy)benzene | SCHEMBL18149712 | XPTZLLQAWPBSGF-UHFFFAOYSA-N
Basic Information
CAS
1094272-74-8
Multi CAS
No
Molecular Formula
C9H9BrF2O
Molecular Weight
251.070000
Exact Mass
249.980480
SMILES
CC(C1=CC=CC=C1OC(F)F)Br
InChI
InChI=1S/C9H9BrF2O/c1-6(10)7-4-2-3-5-8(7)13-9(11)12/h2-6,9H,1H3
InChIKey
XPTZLLQAWPBSGF-UHFFFAOYSA-N
Synonyms
1-(1-bromoethyl)-2-(difluoromethoxy)benzene
SCHEMBL18149712
XPTZLLQAWPBSGF-UHFFFAOYSA-N
MFCD11180259
BS-52417
Computed Properties
Structural Parameters
Heavy atom count
13
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
1
Molar refractivity
50.42
TPSA
9.23
LogP / Solubility
WLOGP
3.74
MLOGP
3.3
XLogP3
3.8
Consensus LogP
3.61
Log S (ESOL)
-3.9
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.32
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.76
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.59
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
2
Customers Also Viewed
-
4-(4-Bromophenyl)tetrahydro-2H-pyran-4-amine
- CAS RN: 1094283-04-1
- Product Code: starshine_CAS1094283-04-1
- Purity/Analytical method: >99.0%
-
4-(3-Fluorophenyl)tetrahydro-2H-pyran-4-amine
- CAS RN: 1094283-08-5
- Product Code: SSC-010744
-
8-Methoxy-6-methyl-3,4-dihydro-2H-1-benzopyran-4-one
- CAS RN: 1094288-70-6
- Product Code: SSC-010748
-
6-CHLORO-3-CYCLOBUTYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE
- CAS RN: 1094292-72-4
- Product Code: SSC-010750
-
6-bromo-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid
- CAS RN: 1094298-69-7
- Product Code: SSC-010752
-
![CAS 1094292-72-4 6-CHLORO-3-CYCLOBUTYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1094292-72-4.gif)
