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: 5g
- 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 |
|---|---|---|---|---|
| 5g | ≥95% | 0 Out of Stock | Shenzhen | Inquiry |
54322-20-2 / sodium 4-chloro-1-hydroxybutane-1-sulfonate
Basic Information
CAS
54322-20-2
Multi CAS
Yes
Molecular Formula
C4H8CLNAO4S
Molecular Weight
210.610000
Exact Mass
209.972952
InChI
InChI=1S/C4H9ClO4S.Na/c5-3-1-2-4(6)10(7,8)9;/h4,6H,1-3H2,(H,7,8,9);/q;+1/p-1
InChIKey
LLLJQYKPVYUIGX-UHFFFAOYSA-M
Computed Properties
Structural Parameters
Heavy atom count
11
Fraction Csp3
1
Rotatable bonds
4
H-bond acceptors
4
H-bond donors
1
Molar refractivity
35.66
TPSA
77.43
LogP / Solubility
WLOGP
-3.13
MLOGP
-2.75
XLogP3
-3.13
Consensus LogP
-3
Log S (ESOL)
1.09
Class (ESOL)
Highly soluble
Log S (Ali)
0.97
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
1.09
Class (SILICOS-IT)
Highly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.22
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
2
Customers Also Viewed
-
4-METHYLUMBELLIFERYL-ALPHA-L-FUCOPYRANOSIDE
- CAS RN: 54322-38-2
- Product Code: starshine_CAS54322-38-2
- Purity/Analytical method: >99.0%
-
-
-
-
-
2-AMINO-4,5-DIMETHYL-1-PHENYL-1H-PYRROLE-3-CARBONITRILE
- CAS RN: 54329-29-2
- Product Code: SSC-161962
