CAS RN: 40039-93-8
BISPHENOL A DIGLYCIDYL ETHER, BROMINATED
Product Availability
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1 package records1 with current stock1 grade group
| Batch No. | Package | Availability | Warehouse | Inquiry |
|---|---|---|---|---|
| Batchno.20250509 | 25g | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS40039-93-8
- Purity/Analytical Methods: >99.0%
40039-93-8 / 2-(chloromethyl)oxirane;2,6-dibromo-4-[2-(3,5-dibromo-4-hydroxyphenyl)propan-2-yl]phenol
Basic Information
CAS
40039-93-8
Multi CAS
Yes
Molecular Formula
C18H17BR4CLO3
Molecular Weight
636.400000
Exact Mass
635.755870
InChI
InChI=1S/C15H12Br4O2.C3H5ClO/c1-15(2,7-3-9(16)13(20)10(17)4-7)8-5-11(18)14(21)12(19)6-8;4-1-3-2-5-3/h3-6,20-21H,1-2H3;3H,1-2H2
InChIKey
DEGGCMXJUHYWMD-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Aromatic heavy atom count
12
Fraction Csp3
0.33
Rotatable bonds
3
H-bond acceptors
3
H-bond donors
2
Molar refractivity
119.6
TPSA
52.99
LogP / Solubility
WLOGP
7.1
MLOGP
6.3
XLogP3
7.1
Consensus LogP
6.83
Log S (ESOL)
-8.4
Class (ESOL)
Insoluble
Log S (Ali)
-9.9
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.05
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.56
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
