CAS RN: 667463-95-8
1-METHYL-BIO
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.20250323 | 5mg / 10mg / 25mg / 100mg | Confirm by inquiry | Shanghai | Inquiry |
- Product code: starshine_CAS667463-95-8
- Purity/Analytical Methods: >99.0%
667463-95-8 / 6-bromo-1-methyl-3-(3-nitroso-1H-indol-2-yl)indol-2-ol
Basic Information
CAS
667463-95-8
Multi CAS
No
Molecular Formula
BC17H12O2Rn3
Molecular Weight
370.200000
Exact Mass
369.011290
InChI
InChI=1S/C17H12BrN3O2/c1-21-13-8-9(18)6-7-11(13)14(17(21)22)16-15(20-23)10-4-2-3-5-12(10)19-16/h2-8,19,22H,1H3
InChIKey
PIDGGJYETVQYET-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
18
Fraction Csp3
0.06
Rotatable bonds
2
H-bond acceptors
4
H-bond donors
2
Molar refractivity
95.03
TPSA
70.38
LogP / Solubility
WLOGP
5.19
MLOGP
4.59
XLogP3
3.8
Consensus LogP
4.53
Log S (ESOL)
-5.85
Class (ESOL)
Slightly soluble
Log S (Ali)
-6.34
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-6.62
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
Yes
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
Yes
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-1.29
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
3
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