CAS RN: 92950-39-5
ACETYLTAXOL, 7-(P)
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.20260424 | 2mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS92950-39-5
- Purity/Analytical Methods: >99.0%
92950-39-5 / [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4,9,12-triacetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1-hydroxy-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
92950-39-5
Multi CAS
Yes
Molecular Formula
C49H53NO15
Molecular Weight
895.900000
Exact Mass
895.341520
InChI
InChI=1S/C49H53NO15/c1-26-33(63-45(58)38(54)37(30-17-11-8-12-18-30)50-43(56)31-19-13-9-14-20-31)24-49(59)42(64-44(57)32-21-15-10-16-22-32)40-47(7,41(55)39(62-28(3)52)36(26)46(49,5)6)34(61-27(2)51)23-35-48(40,25-60-35)65-29(4)53/h8-22,33-35,37-40,42,54,59H,23-25H2,1-7H3,(H,50,56)/t33-,34-,35+,37-,38+,39+,40-,42-,47+,48-,49+/m0/s1
InChIKey
QHVFIEKTXYELRR-XOVTVWCYSA-N
Computed Properties
Structural Parameters
Heavy atom count
65
Aromatic heavy atom count
18
Fraction Csp3
0.45
Rotatable bonds
11
H-bond acceptors
15
H-bond donors
3
Molar refractivity
227.24
TPSA
227.36
LogP / Solubility
WLOGP
4.31
MLOGP
3.87
XLogP3
3.1
Consensus LogP
3.76
Log S (ESOL)
-7.59
Class (ESOL)
Insoluble
Log S (Ali)
-10.02
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-10.38
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)
-5.13
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
Customers Also Viewed
-
2′-ACETYLTAXOL
- CAS RN: 92950-40-8
- Product Code: starshine_CAS92950-40-8
- Purity/Analytical method: >99.0%
-
10-Deacetyl-13-oxobaccatin III
- CAS RN: 92950-42-0
- Product Code: starshine_CAS92950-42-0
- Purity/Analytical method: >99.0%
-
-
-
(3-(Ethoxycarbonyl)-1H-pyrazol-5-yl)boronic acid
- CAS RN: 92988-09-5
- Product Code: SSC-206923
-
