CS-0501463
(3AR,4S,6R,6aS)-6-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-ol
Manufacturer: ChemScene
CAS Number: 2086766-07-4
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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
C₁₄H₁₆ClN₃O₃
Molecular Weight
309.75
Synonyms
None
SMILES
O[C@H]1C[C@@H](N2C=CC3=C2N=CN=C3Cl)[C@H]4[C@@H]1OC(C)(C)O4
Tpsa
69.4
Logp
1.9105
H Acceptors
6
H Donors
1
Rotatable Bonds
1
Other Options
| Image | Product Name | Manufacturer | Price Range | |
|---|---|---|---|---|
 | 2086766-07-4 | (3AR,4S,6R,6aS)-6-(4-chloro-7H-pyrrolo[2,3-d]pyrimidin-7-yl)-2,2-dimethyltetrahydro-4H-cyclopenta[d][1,3]dioxol-4-ol | A2B Chem | -- |
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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: C₁₄H₁₆ClN₃O₃
Molecular Weight: 309.75
Synonyms: None
SMILES: O[C@H]1C[C@@H](N2C=CC3=C2N=CN=C3Cl)[C@H]4[C@@H]1OC(C)(C)O4
Tpsa: 69.4
Logp: 1.9105
H Acceptors: 6
H Donors: 1
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:
C₁₄H₁₆ClN₃O₃
Molecular Weight:
309.75
Synonyms:
None
SMILES:
O[C@H]1C[C@@H](N2C=CC3=C2N=CN=C3Cl)[C@H]4[C@@H]1OC(C)(C)O4
Tpsa:
69.4
Logp:
1.9105
H Acceptors:
6
H Donors:
1
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: C₁₅H₂₀BrNO₂
Molecular Weight: 326.23
Synonyms: 2(1H)-Isoquinolinecarboxylic acid, 7-bromo-3,4-dihydro-6-methyl-, 1,1-dimethylethyl ester
SMILES: CC1=C(Br)C=C2CN(CCC2=C1)C(=O)OC(C)(C)C
Tpsa: 29.54
Logp: 4.05072
H Acceptors: 2
H Donors: 0
Rotatable Bonds: 0
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₁₅H₂₀BrNO₂
Molecular Weight:
326.23
Synonyms:
2(1H)-Isoquinolinecarboxylic acid, 7-bromo-3,4-dihydro-6-methyl-, 1,1-dimethylethyl ester
SMILES:
CC1=C(Br)C=C2CN(CCC2=C1)C(=O)OC(C)(C)C
Tpsa:
29.54
Logp:
4.05072
H Acceptors:
2
H Donors:
0
Rotatable Bonds:
0
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₂H₁₄ClNO₃
Molecular Weight: 255.70
Synonyms: None
SMILES: CCOC(=O)C1C2=C(CCOCC2)N=C(Cl)C=1
Tpsa: 48.42
Logp: 2.0269
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:
C₁₂H₁₄ClNO₃
Molecular Weight:
255.70
Synonyms:
None
SMILES:
CCOC(=O)C1C2=C(CCOCC2)N=C(Cl)C=1
Tpsa:
48.42
Logp:
2.0269
H Acceptors:
4
H Donors:
0
Rotatable Bonds:
2
Purity: 98%
MDL No: MFCD31807714
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₇H₅N₃O₃
Molecular Weight: 179.13
Synonyms: None
SMILES: [H]C(=O)C1=CN=C2OCC(=O)NC2=N1
Tpsa: 81.18
Logp: -0.38
H Acceptors: 5
H Donors: 1
Rotatable Bonds: 1
Purity:
98%
MDL No:
MFCD31807714
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₇H₅N₃O₃
Molecular Weight:
179.13
Synonyms:
None
SMILES:
[H]C(=O)C1=CN=C2OCC(=O)NC2=N1
Tpsa:
81.18
Logp:
-0.38
H Acceptors:
5
H Donors:
1
Rotatable Bonds:
1