CAS RN: 127214-87-3
Intermedin B
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.20251016 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS127214-87-3
- Purity/Analytical Methods: >99.0%
127214-87-3 / (6S)-6-[(1R,5S)-5-hydroxy-4-methylidenecyclohex-2-en-1-yl]-2-methylhept-2-en-4-one
Basic Information
CAS
127214-87-3
Multi CAS
No
Molecular Formula
C15H22O2
Molecular Weight
234.330000
Exact Mass
234.161980
SMILES
C[C@@H](CC(=O)C=C(C)C)[C@H]1C[C@@H](C(=C)C=C1)O
InChI
InChI=1S/C15H22O2/c1-10(2)7-14(16)8-12(4)13-6-5-11(3)15(17)9-13/h5-7,12-13,15,17H,3,8-9H2,1-2,4H3/t12-,13+,15-/m0/s1
InChIKey
PMJSCQFALQJUCS-GUTXKFCHSA-N
Computed Properties
Structural Parameters
Heavy atom count
17
Fraction Csp3
0.53
Rotatable bonds
4
H-bond acceptors
2
H-bond donors
1
Molar refractivity
70.61
TPSA
37.3
LogP / Solubility
WLOGP
3.04
MLOGP
2.68
XLogP3
2.7
Consensus LogP
2.81
Log S (ESOL)
-2.94
Class (ESOL)
Moderately soluble
Log S (Ali)
-3.68
Class (Ali)
Poorly soluble
Log S (SILICOS-IT)
-4.19
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
High
BBB permeant
Yes
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-1.99
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
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