CAS RN: 340148-60-9
diethyl 2-broMo-5-chloroterephthalate
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.20250217 | 5g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS340148-60-9
- Purity/Analytical Methods: >99.0%
340148-60-9 / diethyl 2-bromo-5-chlorobenzene-1,4-dicarboxylate
Basic Information
CAS
340148-60-9
Multi CAS
No
Molecular Formula
C12H12BRCLO4
Molecular Weight
335.580000
Exact Mass
333.960750
InChI
InChI=1S/C12H12BrClO4/c1-3-17-11(15)7-6-10(14)8(5-9(7)13)12(16)18-4-2/h5-6H,3-4H2,1-2H3
InChIKey
UAEJDZNOMOQBMF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
18
Aromatic heavy atom count
6
Fraction Csp3
0.33
Rotatable bonds
4
H-bond acceptors
4
Molar refractivity
71.07
TPSA
52.6
LogP / Solubility
WLOGP
3.46
MLOGP
3.06
XLogP3
3.7
Consensus LogP
3.41
Log S (ESOL)
-4.08
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.81
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-2.31
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
N4-Benzoyl-2′-O-(2-ethoxyethyl)-5-methylcytidine
- CAS RN: 340162-93-8
- Product Code: starshine_CAS340162-93-8
- Purity/Analytical method: >99.0%
-
8-oxobicyclo[3.2.1]octane-3-carboxylic acid
- CAS RN: 340164-19-4
- Product Code: starshine_CAS340164-19-4
- Purity/Analytical method: >99.0%
-
N,N-BIS((S)-1-PHENYLETHYL) PHTHALAMIC ACID
- CAS RN: 340168-99-2
- Product Code: starshine_CAS340168-99-2
- Purity/Analytical method: >99.0%
-
-
(R)-3-Amino-3-phenylpropanoic acid ethyl ester hydrochloride
- CAS RN: 340188-50-3
- Product Code: starshine_CAS340188-50-3
- Purity/Analytical method: >99.0%
-
![CAS 340164-19-4 8-oxobicyclo[3.2.1]octane-3-carboxylic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/340164-19-4.gif)
.gif)
