CAS RN: 63181-98-6
AMBERLITE IRA-743 ION-EXCHANGE RESIN
Product Availability
Available package options are listed below.
1 package records0 with current stock
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20250509 | 250g | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS63181-98-6
- Purity/Analytical Methods: >99.0%
63181-98-6 / 1,2-bis(ethenyl)benzene;(2R,3S,4R,5R)-1-[(2-ethenylphenyl)methyl-methylamino]hexane-1,2,3,4,5,6-hexol
Basic Information
CAS
63181-98-6
Multi CAS
Yes
Molecular Formula
C26H35NO6
Molecular Weight
457.600000
Exact Mass
457.246438
InChI
InChI=1S/C16H25NO6.C10H10/c1-3-10-6-4-5-7-11(10)8-17(2)16(23)15(22)14(21)13(20)12(19)9-18;1-3-9-7-5-6-8-10(9)4-2/h3-7,12-16,18-23H,1,8-9H2,2H3;3-8H,1-2H2/t12-,13-,14+,15-,16?;/m1./s1
InChIKey
STVMLWQMXHXTJS-ULVCUCBLSA-N
Computed Properties
Structural Parameters
Heavy atom count
33
Aromatic heavy atom count
12
Fraction Csp3
0.31
Rotatable bonds
11
H-bond acceptors
7
H-bond donors
6
Molar refractivity
131.74
TPSA
124.62
LogP / Solubility
WLOGP
1.49
MLOGP
1.34
XLogP3
1.49
Consensus LogP
1.44
Log S (ESOL)
-3.16
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.39
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-5.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.45
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
5
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- CAS RN: 63206-77-9
- Product Code: starshine_CAS63206-77-9
- Purity/Analytical method: >99.0%
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