CS-1002551
6,9-Dihydro-9-[(1S,3R,4S)-2-methylene-4-(phenylmethoxy)-3-[(phenylmethoxy)methyl]cyclopentyl]-6-(phenylmethoxy)-N-(triphenylmethyl)-1H-purin-2-amine
Manufacturer: ChemScene
CAS Number: 2097265-84-2
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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
C₅₂H₄₉N₅O₃
Molecular Weight
791.98
Synonyms
None
SMILES
C(NC=1NC=2N(C=NC2C(OCC3=CC=CC=C3)N1)[C@H]4C[C@H](OCC5=CC=CC=C5)[C@@H](COCC6=CC=CC=C6)C4=C)(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9
Tpsa
81.93
Logp
10.3811
H Acceptors
8
H Donors
2
Rotatable Bonds
15
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: C₅₂H₄₉N₅O₃
Molecular Weight: 791.98
Synonyms: None
SMILES: C(NC=1NC=2N(C=NC2C(OCC3=CC=CC=C3)N1)[C@H]4C[C@H](OCC5=CC=CC=C5)[C@@H](COCC6=CC=CC=C6)C4=C)(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9
Tpsa: 81.93
Logp: 10.3811
H Acceptors: 8
H Donors: 2
Rotatable Bonds: 15
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₅₂H₄₉N₅O₃
Molecular Weight:
791.98
Synonyms:
None
SMILES:
C(NC=1NC=2N(C=NC2C(OCC3=CC=CC=C3)N1)[C@H]4C[C@H](OCC5=CC=CC=C5)[C@@H](COCC6=CC=CC=C6)C4=C)(C7=CC=CC=C7)(C8=CC=CC=C8)C9=CC=CC=C9
Tpsa:
81.93
Logp:
10.3811
H Acceptors:
8
H Donors:
2
Rotatable Bonds:
15
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₂₈H₂₇NO₅
Molecular Weight: 457.52
Synonyms: None
SMILES: C(CC1=CC=C(COC(=O)C2=C(C)C=C(C)C=C2)C=C1)(=O)N3[C@@H](CC4=CC=CC=C4)COC3=O
Tpsa: 72.91
Logp: 4.79304
H Acceptors: 5
H Donors: 0
Rotatable Bonds: 7
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₂₈H₂₇NO₅
Molecular Weight:
457.52
Synonyms:
None
SMILES:
C(CC1=CC=C(COC(=O)C2=C(C)C=C(C)C=C2)C=C1)(=O)N3[C@@H](CC4=CC=CC=C4)COC3=O
Tpsa:
72.91
Logp:
4.79304
H Acceptors:
5
H Donors:
0
Rotatable Bonds:
7
Purity: 98%
MDL No: None
Storage: Sealed in dry,2-8℃
Shipping: Room temperature in continental US; may vary elsewhere.
Molecular Formula: C₁₃H₁₂ClN
Molecular Weight: 217.69
Synonyms: None
SMILES: ClC1=CC=C(C=C1)C(C2=NC=CC=C2)C
Tpsa: 12.89
Logp: 3.8868
H Acceptors: 1
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:
C₁₃H₁₂ClN
Molecular Weight:
217.69
Synonyms:
None
SMILES:
ClC1=CC=C(C=C1)C(C2=NC=CC=C2)C
Tpsa:
12.89
Logp:
3.8868
H Acceptors:
1
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: C₄₆H₄₆F₆N₆O₂
Molecular Weight: 828.89
Synonyms: None
SMILES: O=C(NC1=CC=C(C(=C1)C(F)(F)F)CN2CCN(C)CC2)C3=CC=C(C(C#CC#CC4=CC(=CC=C4C)C(=O)NC5=CC=C(C(=C5)C(F)(F)F)CN6CCN(C)CC6)=C3)C
Tpsa: 71.16
Logp: 7.74364
H Acceptors: 6
H Donors: 2
Rotatable Bonds: 8
Purity:
98%
MDL No:
None
Storage:
Sealed in dry,2-8℃
Shipping:
Room temperature in continental US; may vary elsewhere.
Molecular Formula:
C₄₆H₄₆F₆N₆O₂
Molecular Weight:
828.89
Synonyms:
None
SMILES:
O=C(NC1=CC=C(C(=C1)C(F)(F)F)CN2CCN(C)CC2)C3=CC=C(C(C#CC#CC4=CC(=CC=C4C)C(=O)NC5=CC=C(C(=C5)C(F)(F)F)CN6CCN(C)CC6)=C3)C
Tpsa:
71.16
Logp:
7.74364
H Acceptors:
6
H Donors:
2
Rotatable Bonds:
8