CS-0198292
tert-Butyl (6-chloro-1-((3aR,4R,6R,6aR)-6-((((S)-2-(diethoxyphosphoryl)-1-hydroxy-3-methoxypropan-2-yl)oxy)methyl)-2,2-dimethyltetrahydrofuro[3,4-d][1,3]dioxol-4-yl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl)(cyclopentyl)carbamate
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
C₃₁H₄₉ClN₅O₁₁P
Molecular Weight
734.17
Synonyms
None
SMILES
CC1(C)O[C@H]2[C@@H](O1)[C@H](N3C4=NC(Cl)=NC(N(C(OC(C)(C)C)=O)C5CCCC5)=C4C=N3)O[C@@H]2CO[C@@](P(OCC)(OCC)=O)(COC)CO
Tpsa
175.05
Logp
5.199
H Acceptors
15
H Donors
1
Rotatable Bonds
14
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: C₃₁H₄₉ClN₅O₁₁P
Molecular Weight: 734.17
Synonyms: None
SMILES: CC1(C)O[C@H]2[C@@H](O1)[C@H](N3C4=NC(Cl)=NC(N(C(OC(C)(C)C)=O)C5CCCC5)=C4C=N3)O[C@@H]2CO[C@@](P(OCC)(OCC)=O)(COC)CO
Tpsa: 175.05
Logp: 5.199
H Acceptors: 15
H Donors: 1
Rotatable Bonds: 14
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₃₁H₄₉ClN₅O₁₁P
Molecular Weight:
734.17
Synonyms:
None
SMILES:
CC1(C)O[C@H]2[C@@H](O1)[C@H](N3C4=NC(Cl)=NC(N(C(OC(C)(C)C)=O)C5CCCC5)=C4C=N3)O[C@@H]2CO[C@@](P(OCC)(OCC)=O)(COC)CO
Tpsa:
175.05
Logp:
5.199
H Acceptors:
15
H Donors:
1
Rotatable Bonds:
14
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₈H₁₂O₂
Molecular Weight: 140.18
Synonyms: (E)-3-Cyclopropyl-acrylic acid ethyl ester
SMILES: CCOC(/C=C/C1CC1)=O
Tpsa: 26.3
Logp: 1.5157
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 3
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₈H₁₂O₂
Molecular Weight:
140.18
Synonyms:
(E)-3-Cyclopropyl-acrylic acid ethyl ester
SMILES:
CCOC(/C=C/C1CC1)=O
Tpsa:
26.3
Logp:
1.5157
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
3
Purity: 97%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₉H₈ClF₃N₂
Molecular Weight: 236.62
Synonyms: 4-[(1S)-1-AMINO-2,2,2-TRIFLUOROETHYL]BENZONITRILE HYDROCHLORIDE
SMILES: [H]Cl.N#CC1=CC=C(C=C1)[C@H](N)C(F)(F)F
Tpsa: 49.81
Logp: 2.54218
H Acceptors: 2
H Donors: 1
Rotatable Bonds: 1
Purity:
97%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₉H₈ClF₃N₂
Molecular Weight:
236.62
Synonyms:
4-[(1S)-1-AMINO-2,2,2-TRIFLUOROETHYL]BENZONITRILE HYDROCHLORIDE
SMILES:
[H]Cl.N#CC1=CC=C(C=C1)[C@H](N)C(F)(F)F
Tpsa:
49.81
Logp:
2.54218
H Acceptors:
2
H Donors:
1
Rotatable Bonds:
1
Purity: 98%
MDL No: None
Storage: Store at room temperature
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₉N₃O₃
Molecular Weight: 265.31
Synonyms: 2-Methoxy-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylic acid tert-butyl ester
SMILES: O=C(N1CCCC2=NC(OC)=NC=C21)OC(C)(C)C
Tpsa: 64.55
Logp: 2.1729
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 1
Purity:
98%
MDL No:
None
Storage:
Store at room temperature
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₃H₁₉N₃O₃
Molecular Weight:
265.31
Synonyms:
2-Methoxy-7,8-dihydro-6H-pyrido[3,2-d]pyrimidine-5-carboxylic acid tert-butyl ester
SMILES:
O=C(N1CCCC2=NC(OC)=NC=C21)OC(C)(C)C
Tpsa:
64.55
Logp:
2.1729
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
1