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: >97%
- 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 | >97% | 0 Out of Stock | Beijing | Inquiry |
60811-23-6 / 3-chloro-4-fluorobenzenethiol
Basic Information
CAS
60811-23-6
Multi CAS
Yes
Molecular Formula
C6H4CLFS
Molecular Weight
162.610000
Exact Mass
161.970627
InChI
InChI=1S/C6H4ClFS/c7-5-3-4(9)1-2-6(5)8/h1-3,9H
InChIKey
SFSHSIFYTWIGSF-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
9
Aromatic heavy atom count
6
H-bond acceptors
1
H-bond donors
1
Molar refractivity
38.66
TPSA
1.0000
LogP / Solubility
WLOGP
2.77
MLOGP
2.43
XLogP3
2.9
Consensus LogP
2.7
Log S (ESOL)
-3.09
Class (ESOL)
Poorly soluble
Log S (Ali)
-2.89
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3.01
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)
-1.75
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 60811-39-4 7-CHLORO-2,3-DIHYDROPYRROLO[2,1-B]QUINAZOLIN-9(1H)-ONE molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
7-CHLORO-2,3-DIHYDROPYRROLO[2,1-B]QUINAZOLIN-9(1H)-ONE
- CAS RN: 60811-39-4
- Product Code: starshine_CAS60811-39-4
- Purity/Analytical method: >99.0%
-
-
4-ACETYLQUINOLINE
- CAS RN: 60814-30-4
- Product Code: starshine_CAS60814-30-4
- Purity/Analytical method: >99.0%
-
esculentoside P
- CAS RN: 60820-96-4
- Product Code: starshine_CAS60820-96-4
- Purity/Analytical method: >99.0%
-
Dichloridebis(1,10-phenanthroline)(2,2′-bipyridine)ruthenium(II)
- CAS RN: 60828-37-7
- Product Code: starshine_CAS60828-37-7
- Purity/Analytical method: >99.0%
-
(2,2′-Bipyridine)bis(1,10-phenanthroline)ruthenium(2+) bis(hexafluorophosphate)
- CAS RN: 60828-39-9
- Product Code: SSC-169498
![CAS 60811-39-4 7-CHLORO-2,3-DIHYDROPYRROLO[2,1-B]QUINAZOLIN-9(1H)-ONE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/60811-39-4.gif)
