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CAS 90332-63-1 7-Xylosyl-10-deacetyltaxol molecular structure lightbox
CAS RN: 90332-63-1

7-Xylosyl-10-deacetyltaxol

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4 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseLead TimeInquiry
Batchno.20260305 10mg Out of stock Inquiry
Batchno.20260427 10mg In stock Shanghai, Shandong Inquiry
Batchno.20250705 50mg Out of stock 5-7 business days Inquiry
Batchno.20260402 5mg Out of stock Inquiry
  • Product code: starshine_CAS90332-63-1
  • Purity/Analytical Methods: >99.0%
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90332-63-1 / [(1S,2S,3R,4S,7R,9S,10S,12R,15S)-4-acetyloxy-15-[(2R,3S)-3-benzamido-2-hydroxy-3-phenylpropanoyl]oxy-1,12-dihydroxy-10,14,17,17-tetramethyl-11-oxo-9-[(2S,3R,4S,5R)-3,4,5-trihydroxyoxan-2-yl]oxy-6-oxatetracyclo[11.3.1.03,10.04,7]heptadec-13-en-2-yl] benzoate

Standard CAS: 90332-63-1 Multi CAS: Yes
Basic Information Computed Properties

Basic Information

CAS
90332-63-1
Multi CAS
Yes
Molecular Formula
C50H57NO17
Molecular Weight
944.000000
Exact Mass
943.362649
InChI
InChI=1S/C50H57NO17/c1-25-31(65-45(61)38(56)35(27-15-9-6-10-16-27)51-43(59)28-17-11-7-12-18-28)22-50(62)42(67-44(60)29-19-13-8-14-20-29)40-48(5,41(58)37(55)34(25)47(50,3)4)32(21-33-49(40,24-64-33)68-26(2)52)66-46-39(57)36(54)30(53)23-63-46/h6-20,30-33,35-40,42,46,53-57,62H,21-24H2,1-5H3,(H,51,59)/t30-,31+,32+,33-,35+,36+,37-,38-,39-,40+,42+,46+,48-,49+,50-/m1/s1
InChIKey
ORKLEZFXASNLFJ-DYLQFHMVSA-N

Computed Properties

Structural Parameters

Heavy atom count
68
Aromatic heavy atom count
18
Fraction Csp3
0.5
Rotatable bonds
11
H-bond acceptors
17
H-bond donors
7
Molar refractivity
234.77
TPSA
274.14

LogP / Solubility

WLOGP
1.63
MLOGP
1.52
XLogP3
0.4
Consensus LogP
1.18
Log S (ESOL)
-6.19
Class (ESOL)
Insoluble
Log S (Ali)
-8.48
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-8.47
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
Yes
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-7.32

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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