CAS RN: 1967030-78-9
Minisecolide D
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.20260128 | 5mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1967030-78-9
- Purity/Analytical Methods: >99.0%
1967030-78-9 / (1R,4S,5R,10R,11R,13R,14S,17R,18R)-18-[(2R)-4,5-dimethyl-6-oxo-2,3-dihydropyran-2-yl]-10,11,14,20-tetrahydroxy-5,18-dimethyl-19,21-dioxapentacyclo[12.6.1.01,17.04,13.05,10]henicos-7-en-6-one
Basic Information
CAS
1967030-78-9
Multi CAS
No
Molecular Formula
C28H38O9
Molecular Weight
518.600000
Exact Mass
518.251583
SMILES
CC1=C(C(=O)O[C@H](C1)[C@]2([C@H]3CC[C@]4([C@@H]5C[C@H]([C@]6(CC=CC(=O)[C@@]6([C@H]5CC[C@]3(O4)C(O2)O)C)O)O)O)C)C
InChI
InChI=1S/C28H38O9/c1-14-12-21(35-22(31)15(14)2)25(4)18-8-11-28(34)17-13-20(30)27(33)9-5-6-19(29)24(27,3)16(17)7-10-26(18,37-28)23(32)36-25/h5-6,16-18,20-21,23,30,32-34H,7-13H2,1-4H3/t16-,17+,18+,20+,21+,23-,24-,25+,26+,27-,28+/m0/s1
InChIKey
IMULXTBMUIFZIR-VJIDNEPVSA-N
Computed Properties
Structural Parameters
Heavy atom count
37
Fraction Csp3
0.79
Rotatable bonds
1
H-bond acceptors
9
H-bond donors
4
Molar refractivity
128.52
TPSA
142.75
LogP / Solubility
WLOGP
1.66
MLOGP
1.5
XLogP3
0.6
Consensus LogP
1.25
Log S (ESOL)
-4.03
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.01
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-4.53
Class (SILICOS-IT)
Slightly soluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-4.71
Drug-likeness / Medicinal Chemistry
Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Leadlikeness
No
Synthetic Accessibility
10
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