CAS RN: 943136-39-8
Chlorahololide 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.20260620 | 5mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS943136-39-8
- Purity/Analytical Methods: >99.0%
943136-39-8 / [(1R,2S,8R,9S,10S,12R,13S,14S,17S,19R,20S,21R,23Z)-5-(acetyloxymethyl)-9,21-dihydroxy-23-(1-methoxy-1-oxopropan-2-ylidene)-13,20-dimethyl-4,22-dioxo-3-oxaoctacyclo[14.7.1.02,6.02,14.08,13.010,12.017,19.020,24]tetracosa-5,16(24)-dien-9-yl]methyl (E)-2-methylbut-2-enoate
Basic Information
CAS
943136-39-8
Multi CAS
Yes
Molecular Formula
C38H44O11
Molecular Weight
676.700000
Exact Mass
676.288362
InChI
InChI=1S/C38H44O11/c1-8-15(2)32(42)48-14-37(45)24-11-23(24)35(5)25(37)12-22-20(13-47-17(4)39)34(44)49-38(22)26(35)10-19-18-9-21(18)36(6)28(19)29(38)27(30(40)31(36)41)16(3)33(43)46-7/h8,18,21,23-26,29,31,41,45H,9-14H2,1-7H3/b15-8+,27-16-/t18-,21-,23-,24+,25-,26+,29+,31+,35+,36+,37+,38+/m1/s1
InChIKey
WZKZSZYDBUUHLB-IBBKUXAASA-N
Computed Properties
Structural Parameters
Heavy atom count
49
Fraction Csp3
0.66
Rotatable bonds
6
H-bond acceptors
11
H-bond donors
2
Molar refractivity
169.69
TPSA
162.73
LogP / Solubility
WLOGP
3.08
MLOGP
2.77
XLogP3
1.7
Consensus LogP
2.52
Log S (ESOL)
-5.58
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.33
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.34
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-4.66
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
10
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