CS-0747200
N-[3-[(2R,3R,4S,5R)-3,4-Dihydroxy-5-(hydroxymethyl)thiolan-2-yl]-7-oxo-6H-triazolo[4,5-d]pyrimidin-5-yl]-2-methylpropanamide
Manufacturer: ChemScene
CAS Number: 2082745-47-7
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Purity
98%
MDL No
None
Storage
Sealed in dry,2-8℃
Shipping
Room temperature in continental US; may vary elsewhere.
Molecular Formula
C₁₃H₁₈N₆O₅S
Molecular Weight
370.38
Synonyms
None
SMILES
CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(N=N2)[C@@H]1S[C@H](CO)[C@@H](O)[C@H]1O
Tpsa
166.25
Logp
-1.5628
H Acceptors
10
H Donors
5
Rotatable Bonds
4
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SAFETY INFORMATION
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: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₈N₆O₅S
Molecular Weight: 370.38
Synonyms: None
SMILES: CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(N=N2)[C@@H]1S[C@H](CO)[C@@H](O)[C@H]1O
Tpsa: 166.25
Logp: -1.5628
H Acceptors: 10
H Donors: 5
Rotatable Bonds: 4
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₈N₆O₅S
Molecular Weight:
370.38
Synonyms:
None
SMILES:
CC(C)C(=O)NC1=NC(=O)C2=C(N1)N(N=N2)[C@@H]1S[C@H](CO)[C@@H](O)[C@H]1O
Tpsa:
166.25
Logp:
-1.5628
H Acceptors:
10
H Donors:
5
Rotatable Bonds:
4
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₃₄H₃₆N₆O₇S
Molecular Weight: 672.75
Synonyms: None
SMILES: COC1=CC=C(C=C1)C(OC[C@H]1S[C@H]([C@H](O)[C@@H]1O)N1N=NC2=C1NC(NC(=O)C(C)C)=NC2=O)(C1=CC=CC=C1)C1=CC=C(OC)C=C1
Tpsa: 173.71
Logp: 3.4708
H Acceptors: 12
H Donors: 4
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:
C₃₄H₃₆N₆O₇S
Molecular Weight:
672.75
Synonyms:
None
SMILES:
COC1=CC=C(C=C1)C(OC[C@H]1S[C@H]([C@H](O)[C@@H]1O)N1N=NC2=C1NC(NC(=O)C(C)C)=NC2=O)(C1=CC=CC=C1)C1=CC=C(OC)C=C1
Tpsa:
173.71
Logp:
3.4708
H Acceptors:
12
H Donors:
4
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: C₉H₆BrN₃O₂
Molecular Weight: 268.07
Synonyms: None
SMILES: [O-][N+](=O)C1=C(C=CC(Br)=C1)N1C=CN=C1
Tpsa: 60.96
Logp: 2.543
H Acceptors: 4
H Donors: 0
Rotatable Bonds: 2
Purity:
95%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₆BrN₃O₂
Molecular Weight:
268.07
Synonyms:
None
SMILES:
[O-][N+](=O)C1=C(C=CC(Br)=C1)N1C=CN=C1
Tpsa:
60.96
Logp:
2.543
H Acceptors:
4
H Donors:
0
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: C₁₄H₁₉NO
Molecular Weight: 217.31
Synonyms: None
SMILES: CCC(=O)C1=CC=C(C=C1)N1CCCCC1
Tpsa: 20.31
Logp: 3.2696
H Acceptors: 2
H Donors: 0
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:
C₁₄H₁₉NO
Molecular Weight:
217.31
Synonyms:
None
SMILES:
CCC(=O)C1=CC=C(C=C1)N1CCCCC1
Tpsa:
20.31
Logp:
3.2696
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3