CAS RN: 78432-77-6
Deacetyltaxol
Product Availability
Choose a grade to view its available package options.
12 package records10 with current stock3 grade groups
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250821 | 20mg / 100mg / 250mg | Confirm by inquiry | Shanghai | 5-7 business days | Inquiry |
| Batch No. | Package | Availability | Warehouse | Lead Time | Inquiry |
|---|---|---|---|---|---|
| Batchno.20250405 | 100mg | In stock | Shanghai | Inquiry | |
| Batchno.20250627 | 10mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20251230 | 1g | Out of stock | Inquiry | ||
| Batchno.20250425 | 1mg | In stock | Shanghai, Wuhan | Inquiry | |
| Batchno.20250222 | 250mg | In stock | Shanghai | Inquiry | |
| Batchno.20260529 | 50mg | In stock | Shanghai | Inquiry |
- Product code: starshine_CAS78432-77-6
- Purity/Analytical Methods: >99.0%
78432-77-6 / [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,9,12-trihydroxy-10,14,17,17-tetramethyl-11-oxo-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate
Basic Information
CAS
78432-77-6
Multi CAS
Yes
Molecular Formula
C45H49NO13
Molecular Weight
811.900000
Exact Mass
811.320391
InChI
InChI=1S/C45H49NO13/c1-24-29(57-41(54)35(50)33(26-15-9-6-10-16-26)46-39(52)27-17-11-7-12-18-27)22-45(55)38(58-40(53)28-19-13-8-14-20-28)36-43(5,37(51)34(49)32(24)42(45,3)4)30(48)21-31-44(36,23-56-31)59-25(2)47/h6-20,29-31,33-36,38,48-50,55H,21-23H2,1-5H3,(H,46,52)/t29-,30-,31+,33-,34+,35+,36-,38-,43+,44-,45+/m0/s1
InChIKey
TYLVGQKNNUHXIP-MHHARFCSSA-N
Computed Properties
Structural Parameters
Heavy atom count
59
Aromatic heavy atom count
18
Fraction Csp3
0.44
Rotatable bonds
9
H-bond acceptors
13
H-bond donors
5
Molar refractivity
208.14
TPSA
215.22
LogP / Solubility
WLOGP
3.16
MLOGP
2.86
XLogP3
1.9
Consensus LogP
2.64
Log S (ESOL)
-6.5
Class (ESOL)
Insoluble
Log S (Ali)
-8.5
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.64
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-5.43
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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