CAS RN: 4312-54-3
Neostigmine Impurity 1
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250508 | 25mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS4312-54-3
- Purity/Analytical Methods: >99.0%
4312-54-3 / (3-hydroxyphenyl)-trimethylazanium;methyl sulfate
Basic Information
CAS
4312-54-3
Multi CAS
Yes
Molecular Formula
C10H17NO5S
Molecular Weight
263.310000
Exact Mass
263.082744
InChI
InChI=1S/C9H13NO.CH4O4S/c1-10(2,3)8-5-4-6-9(11)7-8;1-5-6(2,3)4/h4-7H,1-3H3;1H3,(H,2,3,4)
InChIKey
UVYIYCBDEGQPEJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
6
Fraction Csp3
0.4
Rotatable bonds
2
H-bond acceptors
5
H-bond donors
1
Molar refractivity
64.38
TPSA
86.66
LogP / Solubility
WLOGP
0.68
MLOGP
0.61
XLogP3
0.68
Consensus LogP
0.66
Log S (ESOL)
-2.03
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.21
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.18
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
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)
-3.84
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
-
-
(S)-2-Amino-3-(4-ethylphenyl)propanoic acid
- CAS RN: 4313-70-6
- Product Code: starshine_CAS4313-70-6
- Purity/Analytical method: >99.0%
-
-
-
-
(1Z)-2,2,2-trifluoro-N’-hydroxyethaniMidaMide (SALTDATA: FREE)
- CAS RN: 4314-35-6
- Product Code: SSC-151430
