CAS RN: 807640-87-5
JNJ 26483327
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Lead Time | Inquiry |
|---|---|---|---|---|
| Batchno.20251213 | 1mg / 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS807640-87-5
- Purity/Analytical Methods: >99.0%
807640-87-5 / 5-bromo-18-methoxy-10-methyl-16-oxa-2,10,21,23-tetrazatetracyclo[15.6.2.03,8.020,24]pentacosa-1(23),3(8),4,6,17,19,21,24-octaene
Basic Information
CAS
807640-87-5
Multi CAS
Yes
Molecular Formula
BC22H25O2Rn4
Molecular Weight
457.400000
Exact Mass
456.116090
InChI
InChI=1S/C22H25BrN4O2/c1-27-8-4-3-5-9-29-21-11-17-19(12-20(21)28-2)24-14-25-22(17)26-18-10-16(23)7-6-15(18)13-27/h6-7,10-12,14H,3-5,8-9,13H2,1-2H3,(H,24,25,26)
InChIKey
JXDYOSVKVSQGJM-UHFFFAOYSA-N
Computed Properties
Structural Parameters
Heavy atom count
29
Aromatic heavy atom count
16
Fraction Csp3
0.36
Rotatable bonds
1
H-bond acceptors
6
H-bond donors
1
Molar refractivity
119.19
TPSA
59.51
LogP / Solubility
WLOGP
5.14
MLOGP
4.55
XLogP3
4.7
Consensus LogP
4.8
Log S (ESOL)
-6.26
Class (ESOL)
Insoluble
Log S (Ali)
-7.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.02
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)
-1.86
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
6.5
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