CS-1001292
Ethyl 2-[[(1S,2S,3S,4R)-4-[7-[[(1R,2S)-2-(3,4-difluorophenyl)cyclopropyl]amino]-5-(propylthio)-3H-1,2,3-triazolo[4,5-d]pyrimidin-3-yl]-2,3-dihydroxycyclopentyl]oxy]acetate
Manufacturer: ChemScene
CAS Number: 1402150-10-0
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Purity
95%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₂₅H₃₀F₂N₆O₅S
Molecular Weight
564.60
Synonyms
None
SMILES
N(C1=C2C(N(N=N2)[C@@H]3C[C@H](OCC(OCC)=O)[C@@H](O)[C@H]3O)=NC(SCCC)=N1)[C@H]4[C@@H](C4)C5=CC(F)=C(F)C=C5
Tpsa
144.51
Logp
2.5845
H Acceptors
12
H Donors
3
Rotatable Bonds
11
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 1402150-10-0 | | A2B Chem | -- |
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SAFETY INFORMATION
ghsPictogramUrl
https://dev-s3.chemscene.com/web-image/physicalization/irritant.svg
Pictograms
Signal Word
Warning
UN Number
N/A
Class
N/A
Packing Group
N/A
Hazard Statements
Precautionary Statements
P261-P264-P270-P271-P280-P302+P352-P304+P340-P305+P351+P338-P330-P362+P364-P403+P233-P405-P501
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Purity: 95%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₅H₃₀F₂N₆O₅S
Molecular Weight: 564.60
Synonyms: None
SMILES: N(C1=C2C(N(N=N2)[C@@H]3C[C@H](OCC(OCC)=O)[C@@H](O)[C@H]3O)=NC(SCCC)=N1)[C@H]4[C@@H](C4)C5=CC(F)=C(F)C=C5
Tpsa: 144.51
Logp: 2.5845
H Acceptors: 12
H Donors: 3
Rotatable Bonds: 11
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₃₀F₂N₆O₅S
Molecular Weight:
564.60
Synonyms:
None
SMILES:
N(C1=C2C(N(N=N2)[C@@H]3C[C@H](OCC(OCC)=O)[C@@H](O)[C@H]3O)=NC(SCCC)=N1)[C@H]4[C@@H](C4)C5=CC(F)=C(F)C=C5
Tpsa:
144.51
Logp:
2.5845
H Acceptors:
12
H Donors:
3
Rotatable Bonds:
11
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₀H₁₇NO₅
Molecular Weight: 231.25
Synonyms: None
SMILES: O(CC(O)=O)[C@@H]1[C@@]2([C@@](OC(C)(C)O2)([C@H](N)C1)[H])[H]
Tpsa: 91.01
Logp: -0.2927
H Acceptors: 5
H Donors: 2
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₀H₁₇NO₅
Molecular Weight:
231.25
Synonyms:
None
SMILES:
O(CC(O)=O)[C@@H]1[C@@]2([C@@](OC(C)(C)O2)([C@H](N)C1)[H])[H]
Tpsa:
91.01
Logp:
-0.2927
H Acceptors:
5
H Donors:
2
Rotatable Bonds:
3
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₄H₁₁N₃O₃
Molecular Weight: 269.26
Synonyms: None
SMILES: O=C(O)C1=CC(C=2C=CC3=NC=CN3C2)=C(NC1=O)C
Tpsa: 87.46
Logp: 1.69622
H Acceptors: 4
H Donors: 2
Rotatable Bonds: 2
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₄H₁₁N₃O₃
Molecular Weight:
269.26
Synonyms:
None
SMILES:
O=C(O)C1=CC(C=2C=CC3=NC=CN3C2)=C(NC1=O)C
Tpsa:
87.46
Logp:
1.69622
H Acceptors:
4
H Donors:
2
Rotatable Bonds:
2
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₃H₃₆N₂O₂
Molecular Weight: 372.54
Synonyms: None
SMILES: C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(NC(=O)C=C4)[H])(CC1)[H])[H])(CC[C@H]2C(NC(C)(C)C)=O)[H]
Tpsa: 58.2
Logp: 3.8145
H Acceptors: 2
H Donors: 2
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₃H₃₆N₂O₂
Molecular Weight:
372.54
Synonyms:
None
SMILES:
C[C@@]12[C@]([C@]3([C@@]([C@]4(C)[C@@](CC3)(NC(=O)C=C4)[H])(CC1)[H])[H])(CC[C@H]2C(NC(C)(C)C)=O)[H]
Tpsa:
58.2
Logp:
3.8145
H Acceptors:
2
H Donors:
2
Rotatable Bonds:
1