[email protected]
CAS 1426953-21-0 Thailanstatin A molecular structure lightbox
CAS RN: 1426953-21-0

Thailanstatin A

Product Availability

Choose a grade to view its available package options.

3 package records0 with current stock2 grade groups
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260117 1mg Out of stock 5-7 business days Inquiry
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20250310 1mg Out of stock Inquiry
Batchno.20251107 2mg Out of stock Inquiry
  • Product code: starshine_CAS1426953-21-0
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

1426953-21-0 / 2-[(3R,4R,5R,7S)-5-[(1E,3E)-5-[(2S,3S,5R,6R)-5-[[(Z,4S)-4-acetyloxypent-2-enoyl]amino]-3,6-dimethyloxan-2-yl]-3-methylpenta-1,3-dienyl]-4-hydroxy-1,6-dioxaspiro[2.5]octan-7-yl]acetic acid

Standard CAS: 1426953-21-0 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
1426953-21-0
Multi CAS
No
Molecular Formula
C28H41NO9
Molecular Weight
535.600000
Exact Mass
535.278132
SMILES
C[C@H]1C[C@H]([C@H](O[C@H]1C/C=C(\C)/C=C/[C@@H]2[C@H]([C@@]3(C[C@H](O2)CC(=O)O)CO3)O)C)NC(=O)/C=C\[C@H](C)OC(=O)C
InChI
InChI=1S/C28H41NO9/c1-16(7-10-24-27(34)28(15-35-28)14-21(38-24)13-26(32)33)6-9-23-17(2)12-22(19(4)37-23)29-25(31)11-8-18(3)36-20(5)30/h6-8,10-11,17-19,21-24,27,34H,9,12-15H2,1-5H3,(H,29,31)(H,32,33)/b10-7+,11-8-,16-6+/t17-,18-,19+,21+,22+,23-,24+,27+,28+/m0/s1
InChIKey
GJKQDOMCDFJANR-FUDLAKRJSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.68
Rotatable bonds
10
H-bond acceptors
8
H-bond donors
3
Molar refractivity
138.15
TPSA
143.92

LogP / Solubility

WLOGP
2.45
MLOGP
2.19
XLogP3
1.9
Consensus LogP
2.18
Log S (ESOL)
-4.04
Class (ESOL)
Slightly soluble
Log S (Ali)
-5.72
Class (Ali)
Slightly soluble
Log S (SILICOS-IT)
-6.37
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)
-4.25

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
Yes
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9.5

Customers Also Viewed

Get In Touch

Contact Us