CAS RN: 3760-66-5
2-bromo-4,4′-dichlorobutyrophenone
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.20260505 | 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS3760-66-5
- Purity/Analytical Methods: >99.0%
3760-66-5 / 2-bromo-4-chloro-1-(4-chlorophenyl)butan-1-one
Basic Information
CAS
3760-66-5
Multi CAS
No
Molecular Formula
C10H9BrCl2O
Molecular Weight
295.980000
Exact Mass
293.921380
SMILES
C1=CC(=CC=C1C(=O)C(CCCl)Br)Cl
InChI
InChI=1S/C10H9BrCl2O/c11-9(5-6-12)10(14)7-1-3-8(13)4-2-7/h1-4,9H,5-6H2
InChIKey
FJDWOHFEUUFTDH-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
14
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
4
H-bond acceptors
1
Molar refractivity
63.83
TPSA
17.07
LogP / Solubility
WLOGP
3.92
MLOGP
3.46
XLogP3
4
Consensus LogP
3.79
Log S (ESOL)
-4.19
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.31
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)
-1.75
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
-
2-METHYLCARBAZOLE
- CAS RN: 3761-94-2
- Product Code: starshine_CAS3761-94-2
- Purity/Analytical method: >99.0%
-
-
5-CHLOROTRYPTAMINE HYDROCHLORIDE
- CAS RN: 3764-94-1
- Product Code: starshine_CAS3764-94-1
- Purity/Analytical method: >99.0%
-
4-ALLYLTHIOSEMICARBAZIDE
- CAS RN: 3766-55-0
- Product Code: starshine_CAS3766-55-0
- Purity/Analytical method: >99.0%
-
BUTURON
- CAS RN: 3766-60-7
- Product Code: starshine_CAS3766-60-7
- Purity/Analytical method: >99.0%
-
ALPHA,BETA-METHYLENEADENOSINE 5′-DIPHOSPHATE
- CAS RN: 3768-14-7
- Product Code: starshine_CAS3768-14-7
- Purity/Analytical method: >99.0%
