CAS RN: 2407966-06-5
Ethyl 3-Bromo-2,5-dichloro-6-methylbenzoate
- Product code: SSC-117257
Historical Factory Record
Historical Supply Reference
This product has historical factory records. Recorded pack sizes and purity can be used as a supply reference, while project-specific availability is confirmed by inquiry.
- Pack sizes on record: 1g
- Available purity: ≥95%
- Inventory rows with stock: 0
- Bulk packaging: confirmed by inquiry
Reference Pack Sizes
Reference pack sizes are shown below. Final availability, packaging and delivery schedule are confirmed by inquiry.
| Pack Size | Recorded Purity | Available Qty | Ship From | Inquiry |
|---|---|---|---|---|
| 1g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
2407966-06-5 / ethyl 3-bromo-2,5-dichloro-6-methylbenzoate
Basic Information
CAS
2407966-06-5
Multi CAS
No
Molecular Formula
C10H9BrCl2O2
Molecular Weight
311.980000
Exact Mass
309.916300
SMILES
CCOC(=O)C1=C(C(=CC(=C1Cl)Br)Cl)C
InChI
InChI=1S/C10H9BrCl2O2/c1-3-15-10(14)8-5(2)7(12)4-6(11)9(8)13/h4H,3H2,1-2H3
InChIKey
VBOQWLMQZFYMEZ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.3
Rotatable bonds
2
H-bond acceptors
2
Molar refractivity
64.86
TPSA
26.3
LogP / Solubility
WLOGP
4.24
MLOGP
3.75
XLogP3
4.5
Consensus LogP
4.16
Log S (ESOL)
-4.61
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.18
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.45
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.61
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
1.5
Customers Also Viewed
-
Bempedoic Acid-d4
- CAS RN: 2408131-70-2
- Product Code: starshine_CAS2408131-70-2
- Purity/Analytical method: >99.0%
-
Palladium, [2′-(amino-κN)[1,1′-biphenyl]-2-yl-κC][1-[bis(1,1-dimethylethyl)phosphino-κP]-1′-[bis(1,1-dimethylethyl)phosphino]ferrocene](methanesulfonato-κO)-
- CAS RN: 2408294-08-4
- Product Code: SSC-117277
-
3H-3-Azadibenzo[g,ij]naphth[2,1,8-cde]azulene
- CAS RN: 2408302-78-1
- Product Code: SSC-117284
-
s-Indacen-4-amine, 1,2,3,5,6,7-hexahydro-8-iodo-
- CAS RN: 2408331-24-6
- Product Code: starshine_CAS2408331-24-6
- Purity/Analytical method: >99.0%
-
2,6-Piperidinedione, 3-(5-bromo-4-fluoro-1,3-dihydro-1-oxo-2H-isoindol-2-yl)-
- CAS RN: 2408391-89-7
- Product Code: SSC-117291
-
3-Bromo-2-methyl-6,7-dihydro-5H-pyrazolo1,5-apyridin-4-one
- CAS RN: 2408429-61-6
- Product Code: starshine_CAS2408429-61-6
- Purity/Analytical method: >99.0%
![CAS 2408294-08-4 Palladium, [2′-(amino-κN)[1,1′-biphenyl]-2-yl-κC][1-[bis(1,1-dimethylethyl)phosphino-κP]-1′-[bis(1,1-dimethylethyl)phosphino]ferrocene](methanesulfonato-κO)- molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2408294-08-4.gif)
![CAS 2408302-78-1 3H-3-Azadibenzo[g,ij]naphth[2,1,8-cde]azulene molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2408302-78-1.gif)
