[email protected]
CAS 134451-94-8 N-ACETYL-D-GLUCOSAMINE molecular structure lightbox
CAS RN: 134451-94-8

N-ACETYL-D-GLUCOSAMINE

Product Availability

Choose a grade to view its available package options.

1 package records1 with current stock1 grade group
Batch No.PackageAvailabilityWarehouseInquiry
Batchno.20260315 1mg / 10mg / 100mg / 1g Confirm by inquiry Shanghai, Shandong Inquiry
  • Product code: starshine_CAS134451-94-8
  • Purity/Analytical Methods: >99.0%
GET A QUOTE

134451-94-8 / N-[(2S,3S,4R,5S)-3,4,5,6-tetrahydroxy-1-oxohexan-2-yl]acetamide

Standard CAS: 134451-94-8 Multi CAS: No
Basic Information Computed Properties

Basic Information

CAS
134451-94-8
Multi CAS
No
Molecular Formula
C8H15NO6
Molecular Weight
221.210000
Exact Mass
221.089937
SMILES
CC(=O)N[C@H](C=O)[C@@H]([C@H]([C@H](CO)O)O)O
InChI
InChI=1S/C8H15NO6/c1-4(12)9-5(2-10)7(14)8(15)6(13)3-11/h2,5-8,11,13-15H,3H2,1H3,(H,9,12)/t5-,6+,7+,8+/m1/s1
InChIKey
MBLBDJOUHNCFQT-KVPKETBZSA-N

Computed Properties

Structural Parameters

Heavy atom count
15
Fraction Csp3
0.75
Rotatable bonds
6
H-bond acceptors
6
H-bond donors
5
Molar refractivity
48.77
TPSA
127.09

LogP / Solubility

WLOGP
-3.23
MLOGP
-2.84
XLogP3
-3.4
Consensus LogP
-3.16
Log S (ESOL)
1.22
Class (ESOL)
Highly soluble
Log S (Ali)
0.96
Class (Ali)
Highly soluble
Log S (SILICOS-IT)
0.87
Class (SILICOS-IT)
Highly soluble

ADME

GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
No
CYP2C9 inhibitor
No
CYP2D6 inhibitor
No
CYP3A4 inhibitor
No
Log Kp (skin permeation)
-6.37

Drug-likeness / Medicinal Chemistry

Lipinski
Yes
Ghose
No
Veber
Yes
Egan
Yes
Muegge
No
Bioavailability score
0.55
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
3.5

Customers Also Viewed

Get In Touch

Contact Us