CAS RN: 1357566-60-9
6-oxo-1,6-dihydropyridine-3-sulfonyl chloride
- Product code: SSC-044351
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: 0.25g
- 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 |
|---|---|---|---|---|
| 0.25g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
1357566-60-9 / 6-oxo-1H-pyridine-3-sulfonyl chloride
Basic Information
CAS
1357566-60-9
Multi CAS
No
Molecular Formula
C5H4ClNO3S
Molecular Weight
193.610000
Exact Mass
192.960042
SMILES
C1=CC(=O)NC=C1S(=O)(=O)Cl
InChI
InChI=1S/C5H4ClNO3S/c6-11(9,10)4-1-2-5(8)7-3-4/h1-3H,(H,7,8)
InChIKey
VYWHYGVVFBUDLY-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
11
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
H-bond donors
1
Molar refractivity
40.1
TPSA
67
LogP / Solubility
WLOGP
0.3
MLOGP
0.27
XLogP3
-0.1
Consensus LogP
0.16
Log S (ESOL)
-1.57
Class (ESOL)
Soluble
Log S (Ali)
-1.37
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.29
Class (SILICOS-IT)
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)
-3.69
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Customers Also Viewed
-
![CAS 1357572-66-7 9-broMo-7H-benzo[c]carbazole molecular structure](data:image/svg+xml,%3Csvg%20xmlns='http://www.w3.org/2000/svg'%20viewBox='0%200%200%200'%3E%3C/svg%3E)
-
9-bromo-7-phenyl-7H-benzo[c]carbazole
- CAS RN: 1357572-67-8
- Product Code: starshine_CAS1357572-67-8
- Purity/Analytical method: >99.0%
-
5-broMo-2-(tetrahydro-2H-pyran-4-yl)pyriMidine
- CAS RN: 1357580-19-8
- Product Code: SSC-044353
-
2,5-Dibromo-4-(4-pyridyl)thiazole
- CAS RN: 1357580-36-9
- Product Code: starshine_CAS1357580-36-9
- Purity/Analytical method: >99.0%
-
(S)-4-Amino-3,3-dimethyl-piperidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1357600-60-2
- Product Code: SSC-044354
-
(R)-4-Amino-3,3-dimethyl-piperidine-1-carboxylic acid tert-butyl ester
- CAS RN: 1357600-61-3
- Product Code: SSC-044355
![CAS 1357572-66-7 9-broMo-7H-benzo[c]carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/CB12707423(1).gif)
![CAS 1357572-67-8 9-bromo-7-phenyl-7H-benzo[c]carbazole molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1357572-67-8.gif)
