CAS RN: 38710-25-7
JACOBINE N‐OXIDE
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.20250222 | 5mg | Out of stock | 15 business days | Inquiry |
- Product code: starshine_CAS38710-25-7
- Purity/Analytical Methods: >99.0%
38710-25-7 / (1R,3'S,4S,6R,7R,17R)-7-hydroxy-3',6,7-trimethyl-14-oxidospiro[2,9-dioxa-14-azoniatricyclo[9.5.1.014,17]heptadec-11-ene-4,2'-oxirane]-3,8-dione
Basic Information
CAS
38710-25-7
Multi CAS
Yes
Molecular Formula
C18H25NO7
Molecular Weight
367.400000
Exact Mass
367.163102
InChI
InChI=1S/C18H25NO7/c1-10-8-18(11(2)26-18)16(21)25-13-5-7-19(23)6-4-12(14(13)19)9-24-15(20)17(10,3)22/h4,10-11,13-14,22H,5-9H2,1-3H3/t10-,11+,13-,14-,17-,18+,19?/m1/s1
InChIKey
NKRQJWQYBNTAEV-SAJQNFQWSA-N
Computed Properties
Structural Parameters
Heavy atom count
26
Fraction Csp3
0.78
H-bond acceptors
7
H-bond donors
1
Molar refractivity
88.37
TPSA
108.42
LogP / Solubility
WLOGP
0.42
MLOGP
0.39
XLogP3
-0.3
Consensus LogP
0.17
Log S (ESOL)
-2.38
Class (ESOL)
Moderately soluble
Log S (Ali)
-2.87
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-2.39
Class (SILICOS-IT)
Moderately soluble
ADME
GI absorption
High
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.67
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9
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