CAS RN: 799822-09-6
Tubulysin H
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.20250513 | 10mg | Out of stock | 30 business days | Inquiry |
- Product code: starshine_CAS799822-09-6
- Purity/Analytical Methods: >99.0%
799822-09-6 / (2S,4R)-4-[[2-[(1R,3R)-1-acetyloxy-3-[acetyloxymethyl-[(2S,3S)-3-methyl-2-[[(2R)-1-methylpiperidine-2-carbonyl]amino]pentanoyl]amino]-4-methylpentyl]-1,3-thiazole-4-carbonyl]amino]-2-methyl-5-phenylpentanoic acid
Basic Information
CAS
799822-09-6
Multi CAS
No
Molecular Formula
C40H59N5O9S
Molecular Weight
786.000000
Exact Mass
785.403350
InChI
InChI=1S/C40H59N5O9S/c1-9-25(4)35(43-37(49)32-17-13-14-18-44(32)8)39(50)45(23-53-27(6)46)33(24(2)3)21-34(54-28(7)47)38-42-31(22-55-38)36(48)41-30(19-26(5)40(51)52)20-29-15-11-10-12-16-29/h10-12,15-16,22,24-26,30,32-35H,9,13-14,17-21,23H2,1-8H3,(H,41,48)(H,43,49)(H,51,52)/t25-,26-,30+,32+,33+,34+,35-/m0/s1
InChIKey
CYTBBNFQKZOQJE-YRKZXFTRSA-N
Computed Properties
Structural Parameters
Heavy atom count
55
Aromatic heavy atom count
11
Fraction Csp3
0.62
Rotatable bonds
20
H-bond acceptors
11
H-bond donors
3
Molar refractivity
207.81
TPSA
184.54
LogP / Solubility
WLOGP
4.98
MLOGP
4.45
XLogP3
3.7
Consensus LogP
4.38
Log S (ESOL)
-6.68
Class (ESOL)
Insoluble
Log S (Ali)
-9.6
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-11.3
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)
-3.98
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
7.5
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