CAS RN: 1594864-96-6
Benzoyl chloride, 5-(chlorosulfonyl)-4-fluoro-2-methyl-
Product Availability
Choose a grade to view its available package options.
5 package records4 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250407 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250403 | 1g | In stock | Shanghai | Inquiry | |
| Batchno.20260421 | 250mg | In stock | Shanghai, Tianjin, Chengdu | Inquiry | |
| Batchno.20250214 | 50mg | In stock | Shanghai | Inquiry | |
| Batchno.20250707 | 50mg / 100mg / 250mg / 1g | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS1594864-96-6
- Purity/Analytical Methods: >99.0%
1594864-96-6 / 5-chlorosulfonyl-4-fluoro-2-methylbenzoyl chloride
Basic Information
CAS
1594864-96-6
Multi CAS
No
Molecular Formula
C8H5Cl2FO3S
Molecular Weight
271.090000
Exact Mass
269.932049
SMILES
CC1=CC(=C(C=C1C(=O)Cl)S(=O)(=O)Cl)F
InChI
InChI=1S/C8H5Cl2FO3S/c1-4-2-6(11)7(15(10,13)14)3-5(4)8(9)12/h2-3H,1H3
InChIKey
LHGAFIRKIARBCN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
15
Aromatic heavy atom count
6
Fraction Csp3
0.12
Rotatable bonds
2
H-bond acceptors
3
Molar refractivity
54.36
TPSA
51.21
LogP / Solubility
WLOGP
2.44
MLOGP
2.16
XLogP3
2.9
Consensus LogP
2.5
Log S (ESOL)
-3.22
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.55
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-3.69
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)
-2.64
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
Yes
Synthetic Accessibility
1.5
Customers Also Viewed
-
-
MP-PEG8-VA-PABC-PBD Dimer
- CAS RN: 1595275-62-9
- Product Code: starshine_CAS1595275-62-9
- Purity/Analytical method: >99.0%
-
SG3199
- CAS RN: 1595275-71-0
- Product Code: starshine_CAS1595275-71-0
- Purity/Analytical method: >99.0%
-
GSK717
- CAS RN: 1595278-21-9
- Product Code: starshine_CAS1595278-21-9
- Purity/Analytical method: >99.0%
-
3,3-dimethyl-1H,2H,3H-pyrrolo[2,3-b]pyridine
- CAS RN: 1595279-67-6
- Product Code: starshine_CAS1595279-67-6
- Purity/Analytical method: >99.0%
-
(2-(PYRROLIDIN-1-YL)THIAZOL-5-YL)BORONIC ACID PINACOL ESTER
- CAS RN: 1595285-01-0
- Product Code: SSC-067489
![CAS 1595279-67-6 3,3-dimethyl-1H,2H,3H-pyrrolo[2,3-b]pyridine molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1595279-67-6.gif)
