![CAS 878483-02-4 O-(2-Azido-4,6-O-benzylidene-2-deoxy-α-D-galactopyranosyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-serine tert-Butyl Ester molecular structure](https://starshinechemical.com/wp-content/uploads/2022/03/a1833-jpgcontextbwfzdgvyfhjvb3r8mzqxnzz8aw1hz2uvanblz3xoodevadvjlzg5mjgzndq5mzizodivqte4mzmuanbnfdmyztewmjnimmnimwy0zgeym2rkowezntvkzdbhm2qym2zknjk5ytjiy2uwn2qwztm4odbjzmjiyzfkotjhymu.jpeg)
CAS RN: 878483-02-4
O-(2-Azido-4,6-O-benzylidene-2-deoxy-α-D-galactopyranosyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-serine tert-Butyl Ester
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.20250814 | 10mg | Out of stock | 5-7 business days | Inquiry |
- Product code: ICTA1833
- Purity/Analytical Methods: >92.0%(HPLC)
878483-02-4 / tert-butyl (2S)-3-[[(4aS,6S,7S,8R,8aR)-7-azido-8-hydroxy-2-phenyl-4,4a,6,7,8,8a-hexahydropyrano[3,2-d][1,3]dioxin-6-yl]oxy]-2-(9H-fluoren-9-ylmethoxycarbonylamino)propanoate
Basic Information
CAS
878483-02-4
Multi CAS
Yes
Molecular Formula
C35H38N4O9
Molecular Weight
658.700000
Exact Mass
658.263879
InChI
InChI=1S/C35H38N4O9/c1-35(2,3)48-31(41)26(37-34(42)45-17-25-23-15-9-7-13-21(23)22-14-8-10-16-24(22)25)18-43-33-28(38-39-36)29(40)30-27(46-33)19-44-32(47-30)20-11-5-4-6-12-20/h4-16,25-30,32-33,40H,17-19H2,1-3H3,(H,37,42)/t26-,27-,28-,29+,30-,32?,33-/m0/s1
InChIKey
FJYOABRVKHDUNV-GPZBHNSLSA-N
Computed Properties
Structural Parameters
Heavy atom count
48
Aromatic heavy atom count
18
Fraction Csp3
0.43
Rotatable bonds
9
H-bond acceptors
10
H-bond donors
2
Molar refractivity
171.4
TPSA
170.54
LogP / Solubility
WLOGP
5.13
MLOGP
4.57
XLogP3
5.2
Consensus LogP
4.97
Log S (ESOL)
-6.84
Class (ESOL)
Insoluble
Log S (Ali)
-8.67
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.28
Class (SILICOS-IT)
Insoluble
ADME
GI absorption
Low
BBB permeant
No
P-gp substrate
No
CYP1A2 inhibitor
No
CYP2C19 inhibitor
Yes
CYP2C9 inhibitor
No
CYP2D6 inhibitor
Yes
CYP3A4 inhibitor
Yes
Log Kp (skin permeation)
-3.1
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
No
Egan
No
Muegge
No
Bioavailability score
0.17
PAINS alerts
1
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
9
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O-(2-Azido-4,6-O-benzylidene-2-deoxy-α-D-galactopyranosyl)-N-[(9H-fluoren-9-ylmethoxy)carbonyl]-L-threonine tert-Butyl Ester
- CAS RN: 195976-07-9
- Product Code: ICTA1832
- Purity/Analytical method: >97.0%(HPLC)
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