CS-0008451
O-((4aS,6R,7S,7aR)-6-(4-(((S)-2,3-Dihydro-1H-inden-1-yl)amino)-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethylhexahydrocyclopenta[d][1,3]dioxin-7-yl) O-phenyl carbonothioate
Manufacturer: ChemScene
CAS Number: None
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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
C₃₁H₃₂N₄O₄S
Molecular Weight
556.68
Synonyms
None
SMILES
S=C(OC1=CC=CC=C1)O[C@H]([C@]([C@@]2([H])C3)([H])OC(OC2)(C)C)[C@@H]3N4C5=NC=NC(N[C@@H](CC6)C7=C6C=CC=C7)=C5C=C4
Tpsa
79.66
Logp
5.9923
H Acceptors
9
H Donors
1
Rotatable Bonds
5
Other Options
...
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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: C₃₁H₃₂N₄O₄S
Molecular Weight: 556.68
Synonyms: None
SMILES: S=C(OC1=CC=CC=C1)O[C@H]([C@]([C@@]2([H])C3)([H])OC(OC2)(C)C)[C@@H]3N4C5=NC=NC(N[C@@H](CC6)C7=C6C=CC=C7)=C5C=C4
Tpsa: 79.66
Logp: 5.9923
H Acceptors: 9
H Donors: 1
Rotatable Bonds: 5
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₃₂N₄O₄S
Molecular Weight:
556.68
Synonyms:
None
SMILES:
S=C(OC1=CC=CC=C1)O[C@H]([C@]([C@@]2([H])C3)([H])OC(OC2)(C)C)[C@@H]3N4C5=NC=NC(N[C@@H](CC6)C7=C6C=CC=C7)=C5C=C4
Tpsa:
79.66
Logp:
5.9923
H Acceptors:
9
H Donors:
1
Rotatable Bonds:
5
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₄ClN₃O₂
Molecular Weight: 267.71
Synonyms: (1S,2S,4R)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol
SMILES: OC[C@H]1[C@@H](O)C[C@H](N2C=CC3=C(Cl)N=CN=C32)C1
Tpsa: 71.17
Logp: 1.389
H Acceptors: 5
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:
C₁₂H₁₄ClN₃O₂
Molecular Weight:
267.71
Synonyms:
(1S,2S,4R)-4-(4-chloropyrrolo[2,3-d]pyrimidin-7-yl)-2-(hydroxymethyl)cyclopentan-1-ol
SMILES:
OC[C@H]1[C@@H](O)C[C@H](N2C=CC3=C(Cl)N=CN=C32)C1
Tpsa:
71.17
Logp:
1.389
H Acceptors:
5
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: C₂₅H₂₇NO₂
Molecular Weight: 373.49
Synonyms: None
SMILES: OC[C@H]1[C@@H](O)C[C@H](NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C1
Tpsa: 52.49
Logp: 3.6999
H Acceptors: 3
H Donors: 3
Rotatable Bonds: 6
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₅H₂₇NO₂
Molecular Weight:
373.49
Synonyms:
None
SMILES:
OC[C@H]1[C@@H](O)C[C@H](NC(C2=CC=CC=C2)(C3=CC=CC=C3)C4=CC=CC=C4)C1
Tpsa:
52.49
Logp:
3.6999
H Acceptors:
3
H Donors:
3
Rotatable Bonds:
6
Purity: 98% (stabilized with TBC)
MDL No: MFCD11053501
Storage: -20°C, sealed storage, away from moisture
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₆Cl₂N₂
Molecular Weight: 189.04
Synonyms: 5-ALLYL-4,6-DICHLORO-PYRIMIDINE
SMILES: C=CCC1=C(Cl)N=CN=C1Cl
Tpsa: 25.78
Logp: 2.5119
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 2
Purity:
98% (stabilized with TBC)
MDL No:
MFCD11053501
Storage:
-20°C, sealed storage, away from moisture
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₆Cl₂N₂
Molecular Weight:
189.04
Synonyms:
5-ALLYL-4,6-DICHLORO-PYRIMIDINE
SMILES:
C=CCC1=C(Cl)N=CN=C1Cl
Tpsa:
25.78
Logp:
2.5119
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
2