CAS RN: 347841-41-2
BISPHENOL-A-3,3′,5,5′-D4
Product Availability
Choose a grade to view its available package options.
1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250218 | 1ml | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS347841-41-2
- Purity/Analytical Methods: >99.0%
347841-41-2 / 2,6-dideuterio-4-[2-(3,5-dideuterio-4-hydroxyphenyl)propan-2-yl]phenol
Basic Information
CAS
347841-41-2
Multi CAS
Yes
Molecular Formula
C15H16O2
Molecular Weight
232.310000
Exact Mass
232.140137
InChI
InChI=1S/C15H16O2/c1-15(2,11-3-7-13(16)8-4-11)12-5-9-14(17)10-6-12/h3-10,16-17H,1-2H3/i7D,8D,9D,10D
InChIKey
IISBACLAFKSPIT-ULDPCNCHSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Aromatic heavy atom count
12
Fraction Csp3
0.2
Rotatable bonds
2
H-bond acceptors
2
H-bond donors
2
Molar refractivity
68.34
TPSA
40.46
LogP / Solubility
WLOGP
3.42
MLOGP
3.02
XLogP3
3.3
Consensus LogP
3.25
Log S (ESOL)
-3.8
Class (ESOL)
Poorly soluble
Log S (Ali)
-3.9
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.23
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.68
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
1.5
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