CAS RN: 911392-43-3
(3S,11E)-3,4,5,6,9,10-Hexahydro-14,16-dihydroxy-3-(methyl-13C)-1H-2-benzoxacyclotetradecin-1,7(8H)-dione-13C17
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.20250116 | 1.2ml | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS911392-43-3
- Purity/Analytical Methods: >99.0%
911392-43-3 / (4S,12E)-16,18-dihydroxy-4-(113C)methyl-3-oxabicyclo[12.4.0]octadeca-1(14),12,15,17-tetraene-2,8-dione
Basic Information
CAS
911392-43-3
Multi CAS
Yes
Molecular Formula
C18H22O5
Molecular Weight
336.230000
Exact Mass
336.207111
InChI
InChI=1S/C18H22O5/c1-12-6-5-9-14(19)8-4-2-3-7-13-10-15(20)11-16(21)17(13)18(22)23-12/h3,7,10-12,20-21H,2,4-6,8-9H2,1H3/b7-3+/t12-/m0/s1/i1+1,2+1,3+1,4+1,5+1,6+1,7+1,8+1,9+1,10+1,11+1,12+1,13+1,14+1,15+1,16+1,17+1,18+1
InChIKey
MBMQEIFVQACCCH-NMEASMPJSA-N
Computed Properties
Structural Parameters
Heavy atom count
23
Aromatic heavy atom count
6
Fraction Csp3
0.44
H-bond acceptors
5
H-bond donors
2
Molar refractivity
86.39
TPSA
83.83
LogP / Solubility
WLOGP
3.58
MLOGP
3.16
XLogP3
3.6
Consensus LogP
3.45
Log S (ESOL)
-4.26
Class (ESOL)
Slightly soluble
Log S (Ali)
-4.76
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.7
Class (SILICOS-IT)
Slightly 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)
-2.12
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
Yes
Veber
Yes
Egan
Yes
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
4.5
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