CAS RN: 260441-99-4
(S)-(-)-2,2′-Bis(methoxymethox
Product Availability
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4 package records2 with current stock2 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250604 | 500mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS260441-99-4
- Purity/Analytical Methods: >99.0%
260441-99-4 / 2-[3-(methoxymethoxy)-4-[2-(methoxymethoxy)-3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)naphthalen-1-yl]naphthalen-2-yl]-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Basic Information
CAS
260441-99-4
Multi CAS
No
Molecular Formula
C36H44B2O8
Molecular Weight
626.400000
Exact Mass
626.322229
SMILES
B1(OC(C(O1)(C)C)(C)C)C2=CC3=CC=CC=C3C(=C2OCOC)C4=C(C(=CC5=CC=CC=C54)B6OC(C(O6)(C)C)(C)C)OCOC
InChI
InChI=1S/C36H44B2O8/c1-33(2)34(3,4)44-37(43-33)27-19-23-15-11-13-17-25(23)29(31(27)41-21-39-9)30-26-18-14-12-16-24(26)20-28(32(30)42-22-40-10)38-45-35(5,6)36(7,8)46-38/h11-20H,21-22H2,1-10H3
InChIKey
WHKQTTJXRFHDJJ-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
46
Aromatic heavy atom count
20
Fraction Csp3
0.44
Rotatable bonds
9
H-bond acceptors
8
Molar refractivity
183.33
TPSA
73.84
LogP / Solubility
WLOGP
6.22
MLOGP
5.53
XLogP3
6.22
Consensus LogP
5.99
Log S (ESOL)
-7.37
Class (ESOL)
Insoluble
Log S (Ali)
-9.19
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.98
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)
-2.12
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
5.5
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