![CAS 2244622-30-6 L-Talofuranose, 5,6-dideoxy-5-[[(phenylmethoxy)carbonyl]amino]-, 2,3-dibenzoate 1-(2,2,2-trichloroethanimidate) molecular structure](https://starshinechemical.com/wp-content/uploads/2023/05/2244622-30-6.gif)
CAS RN: 2244622-30-6
L-Talofuranose, 5,6-dideoxy-5-[[(phenylmethoxy)carbonyl]amino]-, 2,3-dibenzoate 1-(2,2,2-trichloroethanimidate)
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.20250314 | 100mg | Out of stock | 8-10 business days | Inquiry |
- Product code: starshine_CAS2244622-30-6
- Purity/Analytical Methods: >99.0%
2244622-30-6 / [(2R,3R,4R)-4-benzoyloxy-2-[(1S)-1-(phenylmethoxycarbonylamino)ethyl]-5-(2,2,2-trichloroethanimidoyl)oxyoxolan-3-yl] benzoate
Basic Information
CAS
2244622-30-6
Multi CAS
No
Molecular Formula
C30H27Cl3N2O8
Molecular Weight
649.900000
Exact Mass
648.083299
SMILES
C[C@@H]([C@@H]1[C@H]([C@H](C(O1)OC(=N)C(Cl)(Cl)Cl)OC(=O)C2=CC=CC=C2)OC(=O)C3=CC=CC=C3)NC(=O)OCC4=CC=CC=C4
InChI
InChI=1S/C30H27Cl3N2O8/c1-18(35-29(38)39-17-19-11-5-2-6-12-19)22-23(40-25(36)20-13-7-3-8-14-20)24(27(42-22)43-28(34)30(31,32)33)41-26(37)21-15-9-4-10-16-21/h2-16,18,22-24,27,34H,17H2,1H3,(H,35,38)/t18-,22+,23+,24+,27?/m0/s1
InChIKey
RSCAKFCTBLMTCW-VIMUSYRASA-N
Computed Properties
Structural Parameters
Heavy atom count
43
Aromatic heavy atom count
18
Fraction Csp3
0.27
Rotatable bonds
9
H-bond acceptors
9
H-bond donors
2
Molar refractivity
158.28
TPSA
133.24
LogP / Solubility
WLOGP
5.84
MLOGP
5.19
XLogP3
6.8
Consensus LogP
5.94
Log S (ESOL)
-7.27
Class (ESOL)
Insoluble
Log S (Ali)
-9.11
Class (Ali)
Insoluble
Log S (SILICOS-IT)
-9.81
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)
-2.54
Drug-likeness / Medicinal Chemistry
Lipinski
No
Ghose
No
Veber
Yes
Egan
No
Muegge
No
Bioavailability score
0.17
Brenk alerts
1
Leadlikeness
No
Synthetic Accessibility
7
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