CAS RN: 16133-25-8
pyridine-3-sulfonyl chloride
Product Availability
Choose a grade to view its available package options.
2 package records2 with current stock2 grade groups
- Product code: starshine_CAS16133-25-8
- Purity/Analytical Methods: >99.0%
16133-25-8 / pyridine-3-sulfonyl chloride
Basic Information
CAS
16133-25-8
Multi CAS
No
Molecular Formula
C5H4ClNO2S
Molecular Weight
177.610000
Exact Mass
176.965127
SMILES
C1=CC(=CN=C1)S(=O)(=O)Cl
InChI
InChI=1S/C5H4ClNO2S/c6-10(8,9)5-2-1-3-7-4-5/h1-4H
InChIKey
CDRNYKLYADJTMN-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
10
Aromatic heavy atom count
6
Rotatable bonds
1
H-bond acceptors
3
Molar refractivity
37.28
TPSA
47.03
LogP / Solubility
WLOGP
1.01
MLOGP
0.89
XLogP3
0.9
Consensus LogP
0.93
Log S (ESOL)
-1.95
Class (ESOL)
Soluble
Log S (Ali)
-1.74
Class (Ali)
Soluble
Log S (SILICOS-IT)
-1.77
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)
-3.09
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
Safety & Transport
Pictogram(s)
Corrosive
Irritant
Signal
Danger
GHS Hazard Statements
H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
H335 (13.5%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement Codes
P260, P261, P264, P271, P280, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P319, P321, P363, P403+P233, P405, and P501
Customers Also Viewed
-
N-(4-NITROPHENYL)FORMAMIDE 97
- CAS RN: 16135-31-2
- Product Code: starshine_CAS16135-31-2
- Purity/Analytical method: >99.0%
-
1-CHLORO-1-PROPENE
- CAS RN: 16136-85-9
- Product Code: starshine_CAS16136-85-9
- Purity/Analytical method: >99.0%
-
-
-
[2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid
- CAS RN: 16142-03-3
- Product Code: SSC-069099
-
(S)-2,6-DIAMINO-HEXANOIC ACID BENZYL ESTER DIHYDROCHLORIDE
- CAS RN: 16142-09-9
- Product Code: SSC-069100
![CAS 16142-03-3 [2-[2-[2-[2-(2-Methoxyethoxy)ethoxy]ethoxy]ethoxy]ethoxy]acetic acid molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/16142-03-3.gif)
