[email protected]
CAS 226877-06-1 5-Azido-5-deoxy-β-D-galactofuranose 1,2,3,6-Tetrakis(2,2-diMethylpropanoate) molecular structure lightbox
CAS RN: 226877-06-1

5-Azido-5-deoxy-β-D-galactofuranose 1,2,3,6-Tetrakis(2,2-diMethylpropanoate)

Product Availability

Choose a grade to view its available package options.

1 package records0 with current stock1 grade group
Batch No.PackageAvailabilityLead TimeInquiry
Batchno.20260403 100mg Out of stock 8-10 business days Inquiry
  • Product code: starshine_CAS226877-06-1
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

226877-06-1 / [(2R)-2-azido-2-[(2S,3S,4R,5S)-3,4,5-tris(2,2-dimethylpropanoyloxy)oxolan-2-yl]ethyl] 2,2-dimethylpropanoate

Standard CAS: 226877-06-1 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
226877-06-1
Multi CAS
No
Molecular Formula
C26H43N3O9
Molecular Weight
541.600000
Exact Mass
541.299930
SMILES
CC(C)(C)C(=O)OC[C@H]([C@H]1[C@@H]([C@H]([C@@H](O1)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)OC(=O)C(C)(C)C)N=[N+]=[N-]
InChI
InChI=1S/C26H43N3O9/c1-23(2,3)19(30)34-13-14(28-29-27)15-16(36-20(31)24(4,5)6)17(37-21(32)25(7,8)9)18(35-15)38-22(33)26(10,11)12/h14-18H,13H2,1-12H3/t14-,15+,16+,17-,18+/m1/s1
InChIKey
JLKYKJIAGQRDOG-ICUGJSFKSA-N

Computed Properties

Structural Parameters

Heavy atom count
38
Fraction Csp3
0.85
Rotatable bonds
7
H-bond acceptors
10
Molar refractivity
136.23
TPSA
163.19

LogP / Solubility

WLOGP
4.48
MLOGP
3.99
XLogP3
6.3
Consensus LogP
4.92
Log S (ESOL)
-5.56
Class (ESOL)
Slightly soluble
Log S (Ali)
-7.24
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-7.74
Class (SILICOS-IT)
Insoluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-2.84

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.55
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
6.5

Customers Also Viewed

Get In Touch

Contact Us