CAS RN: 256948-32-0
Ranitidine impurity B (PhEur)
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.20250601 | 10mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS256948-32-0
- Purity/Analytical Methods: >99.0%
256948-32-0 / (E)-but-2-enedioic acid;bis(2-[[5-[(dimethylamino)methyl]furan-2-yl]methylsulfanyl]ethanamine)
Basic Information
CAS
256948-32-0
Multi CAS
No
Molecular Formula
C24H40N4O6S2
Molecular Weight
544.700000
Exact Mass
544.238927
SMILES
CN(C)CC1=CC=C(O1)CSCCN.CN(C)CC1=CC=C(O1)CSCCN.C(=C/C(=O)O)\C(=O)O
InChI
InChI=1S/2C10H18N2OS.C4H4O4/c2*1-12(2)7-9-3-4-10(13-9)8-14-6-5-11;5-3(6)1-2-4(7)8/h2*3-4H,5-8,11H2,1-2H3;1-2H,(H,5,6)(H,7,8)/b;;2-1+
InChIKey
UZQUECKZJOVTLJ-WXXKFALUSA-N
Computed Properties
Structural Parameters
Heavy atom count
36
Aromatic heavy atom count
10
Fraction Csp3
0.5
Rotatable bonds
14
H-bond acceptors
10
H-bond donors
4
Molar refractivity
147.04
TPSA
159.4
LogP / Solubility
WLOGP
2.78
MLOGP
2.49
XLogP3
2.78
Consensus LogP
2.68
Log S (ESOL)
-4.25
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.03
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.19
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.07
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
4
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