CAS RN: 87827-55-2
alismol
Product Availability
Choose a grade to view its available package options.
1 package records0 with current stock1 grade group
| Batch No. | Package | Availability | Inquiry |
|---|---|---|---|
| Batchno.20260204 | 5mg | Out of stock | Inquiry |
- Product code: starshine_CAS87827-55-2
- Purity/Analytical Methods: >99.0%
87827-55-2 / (1R,3aS,8aS)-1-methyl-4-methylidene-7-propan-2-yl-2,3,3a,5,6,8a-hexahydroazulen-1-ol
Basic Information
CAS
87827-55-2
Multi CAS
Yes
Molecular Formula
C15H24O
Molecular Weight
220.350000
Exact Mass
220.182715
InChI
InChI=1S/C15H24O/c1-10(2)12-6-5-11(3)13-7-8-15(4,16)14(13)9-12/h9-10,13-14,16H,3,5-8H2,1-2,4H3/t13-,14+,15-/m1/s1
InChIKey
BUPJOLXWQXEJSQ-QLFBSQMISA-N
Computed Properties
Structural Parameters
Heavy atom count
16
Fraction Csp3
0.73
Rotatable bonds
1
H-bond acceptors
1
H-bond donors
1
Molar refractivity
68.13
TPSA
20.23
LogP / Solubility
WLOGP
3.7
MLOGP
3.25
XLogP3
2.7
Consensus LogP
3.22
Log S (ESOL)
-3.47
Class (ESOL)
Poorly soluble
Log S (Ali)
-4.04
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.28
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)
-1.44
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3
Customers Also Viewed
-
L-LEUCINE-5,5,5-D3
- CAS RN: 87828-86-2
- Product Code: starshine_CAS87828-86-2
- Purity/Analytical method: >99.0%
-
-
-
1H-Benzimidazole-2-carboxylicacid,4-methyl-,methylester(9CI)
- CAS RN: 87836-36-0
- Product Code: SSC-198162
-
6-Methyl-1H-benzoimidazole-2-carboxylic acid methyl ester
- CAS RN: 87836-37-1
- Product Code: SSC-198163
-
2,2′,2”,2”’-(benzene-1,2,4,5-tetrayl)tetraacetonitrile
- CAS RN: 87837-08-9
- Product Code: starshine_CAS87837-08-9
- Purity/Analytical method: >99.0%
