CAS RN: 1094268-54-8
1,3,4,6-Tetra-O-acetyl-N-azidoacetylmannosamine
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.20251207 | 5mg / 25mg / 100mg | Out of stock | 5-7 business days | Inquiry |
- Product code: starshine_CAS1094268-54-8
- Purity/Analytical Methods: >99.0%
1094268-54-8 / [(2R,3S,4R,5S,6S)-3,4,6-triacetyloxy-5-[(2-azidoacetyl)amino]oxan-2-yl]methyl acetate
(2S,3S,4R,5S,6R)-6-(Acetoxymethyl)-3-(2-azidoacetamido)tetrahydro-2H-pyran-2,4,5-triyl triacetate
Basic Information
CAS
1094268-54-8
Multi CAS
No
Molecular Formula
C16H22N4O10
Molecular Weight
430.370000
Exact Mass
430.133593
SMILES
CC(=O)OC[C@@H]1[C@H]([C@@H]([C@@H]([C@@H](O1)OC(=O)C)NC(=O)CN=[N+]=[N-])OC(=O)C)OC(=O)C
InChI
InChI=1S/C16H22N4O10/c1-7(21)26-6-11-14(27-8(2)22)15(28-9(3)23)13(16(30-11)29-10(4)24)19-12(25)5-18-20-17/h11,13-16H,5-6H2,1-4H3,(H,19,25)/t11-,13+,14-,15-,16-/m1/s1
InChIKey
HGMISDAXLUIXKM-DPZJBDQQSA-N
Synonyms
(2S,3S,4R,5S,6R)-6-(Acetoxymethyl)-3-(2-azidoacetamido)tetrahydro-2H-pyran-2,4,5-triyl triacetate
Computed Properties
Structural Parameters
Heavy atom count
30
Fraction Csp3
0.69
Rotatable bonds
8
H-bond acceptors
11
H-bond donors
1
Molar refractivity
94.11
TPSA
192.29
LogP / Solubility
WLOGP
-0.5
MLOGP
-0.42
XLogP3
1.2
Consensus LogP
0.09
Log S (ESOL)
-1.66
Class (ESOL)
Soluble
Log S (Ali)
-2.73
Class (Ali)
Moderately soluble
Log S (SILICOS-IT)
-3
Class (SILICOS-IT)
Moderately 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)
-5.7
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
5
Customers Also Viewed
-
Benzene, 1-(1-bromoethyl)-2-(difluoromethoxy)-
- CAS RN: 1094272-74-8
- Product Code: starshine_CAS1094272-74-8
- Purity/Analytical method: >99.0%
-
4-(4-Bromophenyl)tetrahydro-2H-pyran-4-amine
- CAS RN: 1094283-04-1
- Product Code: starshine_CAS1094283-04-1
- Purity/Analytical method: >99.0%
-
4-(3-Fluorophenyl)tetrahydro-2H-pyran-4-amine
- CAS RN: 1094283-08-5
- Product Code: SSC-010744
-
8-Methoxy-6-methyl-3,4-dihydro-2H-1-benzopyran-4-one
- CAS RN: 1094288-70-6
- Product Code: SSC-010748
-
6-CHLORO-3-CYCLOBUTYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE
- CAS RN: 1094292-72-4
- Product Code: SSC-010750
-
6-bromo-3-oxo-3,4-dihydro-2H-1,4-benzoxazine-7-carboxylic acid
- CAS RN: 1094298-69-7
- Product Code: SSC-010752
![CAS 1094292-72-4 6-CHLORO-3-CYCLOBUTYL-[1,2,4]TRIAZOLO[4,3-B]PYRIDAZINE molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/1094292-72-4.gif)
