CAS RN: 923693-67-8
5-bromo-2-chlorophenylisocyanate
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.20250609 | 1g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS923693-67-8
- Purity/Analytical Methods: >99.0%
923693-67-8 / 4-bromo-1-chloro-2-isocyanatobenzene
Basic Information
CAS
923693-67-8
Multi CAS
No
Molecular Formula
C7H3BRCLNO
Molecular Weight
232.460000
Exact Mass
230.908650
InChI
InChI=1S/C7H3BrClNO/c8-5-1-2-6(9)7(3-5)10-4-11/h1-3H
InChIKey
FPGDDXYUBBNEOC-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
2
Molar refractivity
46.93
TPSA
29.43
LogP / Solubility
WLOGP
3.07
MLOGP
2.71
XLogP3
4
Consensus LogP
3.26
Log S (ESOL)
-3.55
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.84
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)
-1.96
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
-
![CAS 923695-17-4 4-METHOXY-2-(METHOXYMETHYL)-5-METHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
4-METHOXY-2-(METHOXYMETHYL)-5-METHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID
- CAS RN: 923695-17-4
- Product Code: SSC-206011
-
2-chloro-N-[phenyl(thiophen-2-yl)methyl]acetamide
- CAS RN: 923709-46-0
- Product Code: starshine_CAS923709-46-0
- Purity/Analytical method: >99.0%
-
5-ETHOXY-2-THIEN-2-YL-1,3-OXAZOLE-4-CARBOXYLIC ACID
- CAS RN: 923710-57-0
- Product Code: SSC-206013
-
[[4-(3-CHLORO-4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]ACETIC ACID
- CAS RN: 923713-39-7
- Product Code: SSC-206015
-
-
2-(1,3-BENZOTHIAZOL-2-YLMETHYL)-2-ETHYLBUTANOIC ACID
- CAS RN: 923716-18-1
- Product Code: SSC-206017
![CAS 923695-17-4 4-METHOXY-2-(METHOXYMETHYL)-5-METHYLTHIENO[2,3-D]PYRIMIDINE-6-CARBOXYLIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB3453795.gif)
![CAS 923709-46-0 2-chloro-N-[phenyl(thiophen-2-yl)methyl]acetamide molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/923709-46-0.gif)
![CAS 923713-39-7 [[4-(3-CHLORO-4-METHYLPHENYL)-4H-1,2,4-TRIAZOL-3-YL]THIO]ACETIC ACID molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB2794491.gif)
